1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane

C30H32N2P2 — CID 4280138

IUPAC1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane
SMILESc1ccc(CN2CP(c3ccccc3)CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1
InChIInChI=1S/C30H32N2P2/c1-5-13-27(14-6-1)21-31-23-33(29-17-9-3-10-18-29)25-32(22-28-15-7-2-8-16-28)26-34(24-31)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyAYHOWSOXPGUXFI-UHFFFAOYSA-N
MW482.55 g/mol
LogP6.45
Rot. Bonds6

About 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane

1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane (PubChem CID 4280138) has the molecular formula C30H32N2P2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane.

Molecular Properties

Compound Name1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane
PubChem CID4280138
Molecular FormulaC30H32N2P2
Molecular Weight482.55 g/mol
Exact Mass482.20
IUPAC Name1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane
SMILESc1ccc(CN2CP(c3ccccc3)CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1
InChIInChI=1S/C30H32N2P2/c1-5-13-27(14-6-1)21-31-23-33(29-17-9-3-10-18-29)25-32(22-28-15-7-2-8-16-28)26-34(24-31)30-19-11-4-12-20-30/h1-20H,21-26H2
InChIKeyAYHOWSOXPGUXFI-UHFFFAOYSA-N
XLogP6.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane?
The IUPAC name of 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane (CID 4280138) is 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane.
What is the SMILES notation for 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane?
The canonical SMILES for 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane is c1ccc(CN2CP(c3ccccc3)CN(Cc3ccccc3)CP(c3ccccc3)C2)cc1.
What is the InChIKey of 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane?
The InChIKey is AYHOWSOXPGUXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2P2/c1-5-13-27(14-6-1)21-31-23-33(29-17-9-3-10-18-29)25-32(22-28-15-7-2-8-16-28)26-34(24-31)30-19-11-4-12-20-30/h1-20H,21-26H2.
What are the key properties of 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane?
1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane has a molecular weight of 482.55 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-3,7-diphenyl-1,5,3,7-diazadiphosphocane is sourced from PubChem (CID 4280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).