N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine

C33H27N3P2 — CID 102053801

IUPACN-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine
SMILESc1ccc(P(N=P(Nc2cccc3cccnc23)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27N3P2/c1-5-17-28(18-6-1)37(29-19-7-2-8-20-29)36-38(30-21-9-3-10-22-30,31-23-11-4-12-24-31)35-32-25-13-15-27-16-14-26-34-33(27)32/h1-26,35H
InChIKeyXMVDIBNJKCUEHF-UHFFFAOYSA-N
MW527.55 g/mol
LogP7.46
Rot. Bonds7

About N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine

N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine (PubChem CID 102053801) has the molecular formula C33H27N3P2 and a molecular weight of 527.55 g/mol. Its IUPAC name is N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine
PubChem CID102053801
Molecular FormulaC33H27N3P2
Molecular Weight527.55 g/mol
Exact Mass527.17
IUPAC NameN-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine
SMILESc1ccc(P(N=P(Nc2cccc3cccnc23)(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H27N3P2/c1-5-17-28(18-6-1)37(29-19-7-2-8-20-29)36-38(30-21-9-3-10-22-30,31-23-11-4-12-24-31)35-32-25-13-15-27-16-14-26-34-33(27)32/h1-26,35H
InChIKeyXMVDIBNJKCUEHF-UHFFFAOYSA-N
XLogP7.46
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 57.46
H-Bond Donors ≤ 51
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 N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine?
The IUPAC name of N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine (CID 102053801) is N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine.
What is the SMILES notation for N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine?
The canonical SMILES for N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine is c1ccc(P(N=P(Nc2cccc3cccnc23)(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine?
The InChIKey is XMVDIBNJKCUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3P2/c1-5-17-28(18-6-1)37(29-19-7-2-8-20-29)36-38(30-21-9-3-10-22-30,31-23-11-4-12-24-31)35-32-25-13-15-27-16-14-26-34-33(27)32/h1-26,35H.
What are the key properties of N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine?
N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine has a molecular weight of 527.55 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diphenylphosphanylimino(diphenyl)-λ5-phosphanyl]quinolin-8-amine is sourced from PubChem (CID 102053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).