N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

C44H42N2P2 — CID 10931066

IUPACN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(P(Nc2ccc3c(c2-c2c(NP(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)c2ccccc2)cc1
InChIInChI=1S/C44H42N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32,45-46H,13-18,27-28H2
InChIKeyGTPWPBWUIWYZCB-UHFFFAOYSA-N
MW660.78 g/mol
LogP10.03
Rot. Bonds9

About N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine

N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 10931066) has the molecular formula C44H42N2P2 and a molecular weight of 660.78 g/mol. Its IUPAC name is N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID10931066
Molecular FormulaC44H42N2P2
Molecular Weight660.78 g/mol
Exact Mass660.28
IUPAC NameN-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESc1ccc(P(Nc2ccc3c(c2-c2c(NP(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)c2ccccc2)cc1
InChIInChI=1S/C44H42N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32,45-46H,13-18,27-28H2
InChIKeyGTPWPBWUIWYZCB-UHFFFAOYSA-N
XLogP10.03
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.78
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine (CID 10931066) is N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is c1ccc(P(Nc2ccc3c(c2-c2c(NP(c4ccccc4)c4ccccc4)ccc4c2CCCC4)CCCC3)c2ccccc2)cc1.
What is the InChIKey of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is GTPWPBWUIWYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-12,19-26,29-32,45-46H,13-18,27-28H2.
What are the key properties of N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine?
N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 660.78 g/mol, XLogP of 10.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10931066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).