N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine

C41H31NP2 — CID 101365555

IUPACN,N-bis(dinaphthalen-2-ylphosphanyl)methanamine
SMILESCN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C41H31NP2/c1-42(43(38-22-18-30-10-2-6-14-34(30)26-38)39-23-19-31-11-3-7-15-35(31)27-39)44(40-24-20-32-12-4-8-16-36(32)28-40)41-25-21-33-13-5-9-17-37(33)29-41/h2-29H,1H3
InChIKeyGRENTFIADYWAIP-UHFFFAOYSA-N
MW599.65 g/mol
LogP9.63
Rot. Bonds6

About N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine

N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine (PubChem CID 101365555) has the molecular formula C41H31NP2 and a molecular weight of 599.65 g/mol. Its IUPAC name is N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine.

Molecular Properties

Compound NameN,N-bis(dinaphthalen-2-ylphosphanyl)methanamine
PubChem CID101365555
Molecular FormulaC41H31NP2
Molecular Weight599.65 g/mol
Exact Mass599.19
IUPAC NameN,N-bis(dinaphthalen-2-ylphosphanyl)methanamine
SMILESCN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C41H31NP2/c1-42(43(38-22-18-30-10-2-6-14-34(30)26-38)39-23-19-31-11-3-7-15-35(31)27-39)44(40-24-20-32-12-4-8-16-36(32)28-40)41-25-21-33-13-5-9-17-37(33)29-41/h2-29H,1H3
InChIKeyGRENTFIADYWAIP-UHFFFAOYSA-N
XLogP9.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.65
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(dinaphthalen-2-ylphosphanyl)methanamine?
The IUPAC name of N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine (CID 101365555) is N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine.
What is the SMILES notation for N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine?
The canonical SMILES for N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine is CN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine?
The InChIKey is GRENTFIADYWAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31NP2/c1-42(43(38-22-18-30-10-2-6-14-34(30)26-38)39-23-19-31-11-3-7-15-35(31)27-39)44(40-24-20-32-12-4-8-16-36(32)28-40)41-25-21-33-13-5-9-17-37(33)29-41/h2-29H,1H3.
What are the key properties of N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine?
N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine has a molecular weight of 599.65 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(dinaphthalen-2-ylphosphanyl)methanamine is sourced from PubChem (CID 101365555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).