1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine

C32H29N — CID 155049501

IUPAC1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C(\N=C(/C)c1ccc(C)cc1)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C32H29N/c1-23-10-14-28(15-11-23)26(4)33-32(22-25(3)27-8-6-5-7-9-27)31-20-18-30(19-21-31)29-16-12-24(2)13-17-29/h5-22H,3H2,1-2,4H3/b32-22-,33-26+
InChIKeyNHTKWQCNWZQPGO-TXRRHMLLSA-N
MW427.59 g/mol
LogP8.53
Rot. Bonds6

About 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine

1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine (PubChem CID 155049501) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
PubChem CID155049501
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine
SMILESC=C(/C=C(\N=C(/C)c1ccc(C)cc1)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1
InChIInChI=1S/C32H29N/c1-23-10-14-28(15-11-23)26(4)33-32(22-25(3)27-8-6-5-7-9-27)31-20-18-30(19-21-31)29-16-12-24(2)13-17-29/h5-22H,3H2,1-2,4H3/b32-22-,33-26+
InChIKeyNHTKWQCNWZQPGO-TXRRHMLLSA-N
XLogP8.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1-[4-[4-(phenyliminomethyl)phenyl]phenyl]methanimine
CID 11152612
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
6,12-Bis(4-methylphenyl)benzo[c][1,5]benzodiazocine
CID 13302471
N-(2-cyclohexylidene-1-phenylethyl)-1,1-diphenylmethanimine
CID 124222355
(E)-1,1-diphenyl-N-(1-phenyl-3-(4-(trifluoromethyl)phenyl)allyl)methanimine
CID 124222373
N-[(Z)-1,2-diphenylethenyl]-1-(4-fluorophenyl)ethanimine
CID 139124130
N-Benzhydrylidene-2-aminobiphenyl
CID 620601
delta1,1'-Bi-1H-isoindole, 3,3'-diphenyl-
CID 5379637
2H-Azirine, 2,2,3-triphenyl-
CID 9970310
5,7-diphenyl-7H-benzo[d][2]benzazepine
CID 13757314

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine (CID 155049501) is 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine is C=C(/C=C(\N=C(/C)c1ccc(C)cc1)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine?
The InChIKey is NHTKWQCNWZQPGO-TXRRHMLLSA-N. The full InChI is InChI=1S/C32H29N/c1-23-10-14-28(15-11-23)26(4)33-32(22-25(3)27-8-6-5-7-9-27)31-20-18-30(19-21-31)29-16-12-24(2)13-17-29/h5-22H,3H2,1-2,4H3/b32-22-,33-26+.
What are the key properties of 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine?
1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine has a molecular weight of 427.59 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1Z)-1-[4-(4-methylphenyl)phenyl]-3-phenylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 155049501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).