N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine

C30H26N2P2 — CID 102076311

IUPACN,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(P(c2ccccc2)N(Cc2ccccn2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)32(25-26-15-13-14-24-31-26)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,25H2
InChIKeyYLOIWKLQLMNWMX-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.98
Rot. Bonds8

About N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine

N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine (PubChem CID 102076311) has the molecular formula C30H26N2P2 and a molecular weight of 476.50 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine
PubChem CID102076311
Molecular FormulaC30H26N2P2
Molecular Weight476.50 g/mol
Exact Mass476.16
IUPAC NameN,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine
SMILESc1ccc(P(c2ccccc2)N(Cc2ccccn2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H26N2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)32(25-26-15-13-14-24-31-26)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,25H2
InChIKeyYLOIWKLQLMNWMX-UHFFFAOYSA-N
XLogP5.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.98
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 N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine (CID 102076311) is N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine is c1ccc(P(c2ccccc2)N(Cc2ccccn2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine?
The InChIKey is YLOIWKLQLMNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)32(25-26-15-13-14-24-31-26)34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H,25H2.
What are the key properties of N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine?
N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine has a molecular weight of 476.50 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 102076311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).