4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine

C25H23N3 — CID 66739305

IUPAC4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
SMILESCc1cc(Nc2cccc(Nc3ccccc3)c2)cc(-c2ccccc2)c1N
InChIInChI=1S/C25H23N3/c1-18-15-23(17-24(25(18)26)19-9-4-2-5-10-19)28-22-14-8-13-21(16-22)27-20-11-6-3-7-12-20/h2-17,27-28H,26H2,1H3
InChIKeyMVSUYEUZALGEGI-UHFFFAOYSA-N
MW365.48 g/mol
LogP6.73
Rot. Bonds5

About 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine

4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine (PubChem CID 66739305) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
PubChem CID66739305
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine
SMILESCc1cc(Nc2cccc(Nc3ccccc3)c2)cc(-c2ccccc2)c1N
InChIInChI=1S/C25H23N3/c1-18-15-23(17-24(25(18)26)19-9-4-2-5-10-19)28-22-14-8-13-21(16-22)27-20-11-6-3-7-12-20/h2-17,27-28H,26H2,1H3
InChIKeyMVSUYEUZALGEGI-UHFFFAOYSA-N
XLogP6.73
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine (CID 66739305) is 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine is Cc1cc(Nc2cccc(Nc3ccccc3)c2)cc(-c2ccccc2)c1N.
What is the InChIKey of 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine?
The InChIKey is MVSUYEUZALGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-18-15-23(17-24(25(18)26)19-9-4-2-5-10-19)28-22-14-8-13-21(16-22)27-20-11-6-3-7-12-20/h2-17,27-28H,26H2,1H3.
What are the key properties of 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine?
4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine has a molecular weight of 365.48 g/mol, XLogP of 6.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-anilinophenyl)-2-methyl-6-phenylbenzene-1,4-diamine is sourced from PubChem (CID 66739305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).