N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline

C29H26N2 — CID 91118877

IUPACN-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
SMILESCc1ccc(C(=C/C=N\N(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2/c1-23-13-17-25(18-14-23)29(26-19-15-24(2)16-20-26)21-22-30-31(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22H,1-2H3/b30-22-
InChIKeySVOSTHFHVWFELT-SWKFRHMKSA-N
MW402.54 g/mol
LogP7.56
Rot. Bonds6

About N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline

N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline (PubChem CID 91118877) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline.

Molecular Properties

Compound NameN-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
PubChem CID91118877
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC NameN-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline
SMILESCc1ccc(C(=C/C=N\N(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2/c1-23-13-17-25(18-14-23)29(26-19-15-24(2)16-20-26)21-22-30-31(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22H,1-2H3/b30-22-
InChIKeySVOSTHFHVWFELT-SWKFRHMKSA-N
XLogP7.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enylidene]amino]-N-phenylaniline
CID 22828689
[4-[(E,3E)-3-(diphenylhydrazinylidene)-1-(4-methoxyphenyl)prop-1-enyl]phenyl]methanol
CID 58612806
N-benzyl-N-(3,3-diphenylprop-2-enylideneamino)-4-methylaniline
CID 54056068
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
CID 173389994
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
4-[4,4-bis(4-methylphenyl)-1-phenylbuta-1,3-dienyl]-N,N-dipropylaniline
CID 54020177
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-[(Z)-ethylideneamino]-4-methyl-N-phenylbenzamide
CID 23275030
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline?
The IUPAC name of N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline (CID 91118877) is N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline.
What is the SMILES notation for N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline?
The canonical SMILES for N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline is Cc1ccc(C(=C/C=N\N(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline?
The InChIKey is SVOSTHFHVWFELT-SWKFRHMKSA-N. The full InChI is InChI=1S/C29H26N2/c1-23-13-17-25(18-14-23)29(26-19-15-24(2)16-20-26)21-22-30-31(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22H,1-2H3/b30-22-.
What are the key properties of N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline?
N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline has a molecular weight of 402.54 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-bis(4-methylphenyl)prop-2-enylideneamino]-N-phenylaniline is sourced from PubChem (CID 91118877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).