5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine

C30H26N3P — CID 134505269

IUPAC5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H26N3P/c31-25-20-24(21-26(32)22-25)23-16-18-27(19-17-23)33-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-22H,31-32H2
InChIKeyWNWQKENBIYNYDQ-UHFFFAOYSA-N
MW459.53 g/mol
LogP6.33
Rot. Bonds5

About 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine

5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine (PubChem CID 134505269) has the molecular formula C30H26N3P and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine
PubChem CID134505269
Molecular FormulaC30H26N3P
Molecular Weight459.53 g/mol
Exact Mass459.19
IUPAC Name5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C30H26N3P/c31-25-20-24(21-26(32)22-25)23-16-18-27(19-17-23)33-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-22H,31-32H2
InChIKeyWNWQKENBIYNYDQ-UHFFFAOYSA-N
XLogP6.33
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.53
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine?
The IUPAC name of 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine (CID 134505269) is 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine?
The canonical SMILES for 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine is Nc1cc(N)cc(-c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine?
The InChIKey is WNWQKENBIYNYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N3P/c31-25-20-24(21-26(32)22-25)23-16-18-27(19-17-23)33-34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-22H,31-32H2.
What are the key properties of 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine?
5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine has a molecular weight of 459.53 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(triphenyl-λ5-phosphanylidene)amino]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 134505269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).