3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine

C26H24N2O2 — CID 87111772

IUPAC3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(N)c(N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-29-20-12-8-18(9-13-20)22-16-23(17-6-4-3-5-7-17)25(27)26(28)24(22)19-10-14-21(30-2)15-11-19/h3-16H,27-28H2,1-2H3
InChIKeyFWALOJAOLFOQKY-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.87
Rot. Bonds5

About 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine

3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine (PubChem CID 87111772) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
PubChem CID87111772
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(N)c(N)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-29-20-12-8-18(9-13-20)22-16-23(17-6-4-3-5-7-17)25(27)26(28)24(22)19-10-14-21(30-2)15-11-19/h3-16H,27-28H2,1-2H3
InChIKeyFWALOJAOLFOQKY-UHFFFAOYSA-N
XLogP5.87
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine (CID 87111772) is 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine is COc1ccc(-c2cc(-c3ccccc3)c(N)c(N)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine?
The InChIKey is FWALOJAOLFOQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-29-20-12-8-18(9-13-20)22-16-23(17-6-4-3-5-7-17)25(27)26(28)24(22)19-10-14-21(30-2)15-11-19/h3-16H,27-28H2,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine?
3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine has a molecular weight of 396.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-phenylbenzene-1,2-diamine is sourced from PubChem (CID 87111772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).