(1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate

Catalog Number	ACM1223007008
CAS	1223007-00-8
IUPAC Name	[(1S,2S)-1,2-diphenyl-2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethyl]azanium;tetrafluoroborate
Molecular Weight	595.42
Molecular Formula	C36H31BF4NP
InChI	OLXCCGQCSYPUEL-AIHXPYQNSA-O
InChI Key	InChI=1S/C36H30NP.BF4/c37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-23-29-21-19-25-11-7-9-17-31(25)33(29)34-30(24-38)22-20-26-12-8-10-18-32(26)34;2-1(3,4)5/h1-22,35-36H,23-24,37H2;/q;-1/p+1/t35-,36-;/m0./s1
Purity	98%
Isomeric SMILES	[B-](F)(F)(F)F.C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1[C@@H](C5=CC=CC=C5)[C@H](C6=CC=CC=C6)[NH3+])C=CC7=CC=CC=C74

Q&A

What is the IUPAC name of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

The IUPAC name is [(1S,2S)-1,2-diphenyl-2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethyl]azanium;tetrafluoroborate.

What is the molecular formula of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

The molecular formula is C36H31BF4NP.

What is the molecular weight of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

The molecular weight is 595.4g/mol.

What is the exact mass of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

The exact mass is 595.2223298.

How many heavy atoms are present in (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

There are 43 heavy atoms.

How many defined atom stereocenters are there in (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

There are 2 defined atom stereocenters.

How many rotatable bonds are present in (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

There are 4 rotatable bonds.

What is the topological polar surface area of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

The topological polar surface area is 27.6.

How many hydrogen bond acceptor counts does (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate have?

There are 5 hydrogen bond acceptor counts.

What is the canonical SMILES representation of (1S,2S)-2-((4R,11bS)-3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanaminium tetrafluoroborate?

[B-](F)(F)(F)F.C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1C(C5=CC=CC=C5)C(C6=CC=CC=C6)[NH3+])C=CC7=CC=CC=C74.