Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine

Catalog Number	ACM791630007
CAS	791630-00-7
Synonyms	2,2'-Bis[(R-1,1'-binaphthyl-2,2'-dimethyl)phosphino]diethylamine
IUPAC Name	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)-N-[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]ethanamine
Molecular Weight	693.79
Molecular Formula	C48H41NP2
InChI	VMLOJVKKOABMEO-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H41NP2/c1-5-13-41-33(9-1)17-21-37-29-50(30-38-22-18-34-10-2-6-14-42(34)46(38)45(37)41)27-25-49-26-28-51-31-39-23-19-35-11-3-7-15-43(35)47(39)48-40(32-51)24-20-36-12-4-8-16-44(36)48/h1-24,49H,25-32H2
Melting Point	230-236 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1CCNCCP5CC6=C(C7=CC=CC=C7C=C6)C8=C(C5)C=CC9=CC=CC=C98)C=CC1=CC=CC=C14

Q&A

What is the CAS number of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The CAS number is 791630-00-7.

What is the Canonical SMILES representation of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The Canonical SMILES representation is C1C2=C(C3=CC=CC=C3C=C2)C4=C(CP1CCNCCP5CC6=C(C7=CC=CC=C7C=C6)C8=C(C5)C=CC9=CC=CC=C98)C=CC1=CC=CC=C14.

How many heavy atoms are present in Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

There are 51 heavy atoms in Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine.

What is the topological polar surface area of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The topological polar surface area is 12.

What is the XLogP3 value of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The XLogP3 value is 9.6.

What is the IUPAC name of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The IUPAC name is 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)-N-[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]ethanamine.

What is the molecular formula of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The molecular formula is C48H41NP2.

What is the molecular weight of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The molecular weight is 693.8 g/mol.

What is the Monoisotopic Mass of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The Monoisotopic Mass is 693.27142431.

What is the InChIKey of Bis(2-(3H-dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)ethyl)amine?

The InChIKey is VMLOJVKKOABMEO-UHFFFAOYSA-N.