N,N-bis(diphenylphosphanyl)methanamine

C25H23NP2 — CID 621631

IUPACN,N-bis(diphenylphosphanyl)methanamine
SMILESCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyDJIPBTHZXKWONU-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.01
Rot. Bonds6

About N,N-bis(diphenylphosphanyl)methanamine

N,N-bis(diphenylphosphanyl)methanamine (PubChem CID 621631) has the molecular formula C25H23NP2 and a molecular weight of 399.41 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)methanamine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)methanamine
PubChem CID621631
Molecular FormulaC25H23NP2
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC NameN,N-bis(diphenylphosphanyl)methanamine
SMILESCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NP2/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3
InChIKeyDJIPBTHZXKWONU-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.01
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(diphenylphosphanyl)methanamine?
The IUPAC name of N,N-bis(diphenylphosphanyl)methanamine (CID 621631) is N,N-bis(diphenylphosphanyl)methanamine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)methanamine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)methanamine is CN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)methanamine?
The InChIKey is DJIPBTHZXKWONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NP2/c1-26(27(22-14-6-2-7-15-22)23-16-8-3-9-17-23)28(24-18-10-4-11-19-24)25-20-12-5-13-21-25/h2-21H,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)methanamine?
N,N-bis(diphenylphosphanyl)methanamine has a molecular weight of 399.41 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)methanamine is sourced from PubChem (CID 621631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).