4-diphenylphosphorylbenzene-1,2,3-triamine

C18H18N3OP — CID 153406708

IUPAC4-diphenylphosphorylbenzene-1,2,3-triamine
SMILESNc1ccc(P(=O)(c2ccccc2)c2ccccc2)c(N)c1N
InChIInChI=1S/C18H18N3OP/c19-15-11-12-16(18(21)17(15)20)23(22,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,19-21H2
InChIKeyITAVLBDMXZXYHU-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.07
Rot. Bonds3

About 4-diphenylphosphorylbenzene-1,2,3-triamine

4-diphenylphosphorylbenzene-1,2,3-triamine (PubChem CID 153406708) has the molecular formula C18H18N3OP and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-diphenylphosphorylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name4-diphenylphosphorylbenzene-1,2,3-triamine
PubChem CID153406708
Molecular FormulaC18H18N3OP
Molecular Weight323.34 g/mol
Exact Mass323.12
IUPAC Name4-diphenylphosphorylbenzene-1,2,3-triamine
SMILESNc1ccc(P(=O)(c2ccccc2)c2ccccc2)c(N)c1N
InChIInChI=1S/C18H18N3OP/c19-15-11-12-16(18(21)17(15)20)23(22,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,19-21H2
InChIKeyITAVLBDMXZXYHU-UHFFFAOYSA-N
XLogP2.07
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphorylbenzene-1,2,3-triamine?
The IUPAC name of 4-diphenylphosphorylbenzene-1,2,3-triamine (CID 153406708) is 4-diphenylphosphorylbenzene-1,2,3-triamine.
What is the SMILES notation for 4-diphenylphosphorylbenzene-1,2,3-triamine?
The canonical SMILES for 4-diphenylphosphorylbenzene-1,2,3-triamine is Nc1ccc(P(=O)(c2ccccc2)c2ccccc2)c(N)c1N.
What is the InChIKey of 4-diphenylphosphorylbenzene-1,2,3-triamine?
The InChIKey is ITAVLBDMXZXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3OP/c19-15-11-12-16(18(21)17(15)20)23(22,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H,19-21H2.
What are the key properties of 4-diphenylphosphorylbenzene-1,2,3-triamine?
4-diphenylphosphorylbenzene-1,2,3-triamine has a molecular weight of 323.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphorylbenzene-1,2,3-triamine is sourced from PubChem (CID 153406708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).