(18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine

Catalog Number	ACM331769223
CAS	331769-22-3
IUPAC Name	(22-diphenylphosphanyl-8,17-diazatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane
Molecular Weight	662.78
Molecular Formula	C44H44N2P2
InChI	FRFLXDDOSFXIFP-UHFFFAOYSA-N
InChI Key	InChI=1S/C44H44N2P2/c1-2-4-18-34-46-40-30-20-32-42(48(37-25-13-7-14-26-37)38-27-15-8-16-28-38)44(40)43-39(45-33-17-3-1)29-19-31-41(43)47(35-21-9-5-10-22-35)36-23-11-6-12-24-36/h5-16,19-32,45-46H,1-4,17-18,33-34H2
Purity	98%
Isomeric SMILES	C1CCCCNC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)NCCC1

Q&A

What is the exact mass of (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

The exact mass is 662.29797341.

How many heavy atoms are present in (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

There are 48 heavy atoms.

What is the canonical SMILES representation of (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

C1CCCCNC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)NCCC1

How many rotatable bonds are present in (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

There are 6 rotatable bonds.

What is the IUPAC name of (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

(22-diphenylphosphanyl-8,17-diazatricyclo[16.4.0.02,7]docosa-1(18),2(7),3,5,19,21-hexaen-3-yl)-diphenylphosphane

What is the molecular formula of (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

The molecular formula is C44H44N2P2.

How many hydrogen bond acceptors are present in (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

There are 2 hydrogen bond acceptors.

What is the XLogP3 value of (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

The XLogP3 value is 11.2.

What is the Depositor-Supplied Synonym for (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

331769-22-3

How many covalently bonded units are present in (18aR)-1,18-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12,13,14-decahydrodibenzo[b,d][1,6]diazacyclotetradecine?

There is 1 covalently bonded unit.