2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde

C35H27NO2 — CID 173476758

IUPAC2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde
SMILESCc1ccc(N(c2ccc(/C=C\C(=O)c3ccccc3C=O)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H27NO2/c1-26-11-18-31(19-12-26)36(33-22-16-29(17-23-33)28-7-3-2-4-8-28)32-20-13-27(14-21-32)15-24-35(38)34-10-6-5-9-30(34)25-37/h2-25H,1H3/b24-15-
InChIKeyKVRYUKBERUFISN-IWIPYMOSSA-N
MW493.61 g/mol
LogP8.84
Rot. Bonds8

About 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde

2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde (PubChem CID 173476758) has the molecular formula C35H27NO2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde.

Molecular Properties

Compound Name2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde
PubChem CID173476758
Molecular FormulaC35H27NO2
Molecular Weight493.61 g/mol
Exact Mass493.20
IUPAC Name2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde
SMILESCc1ccc(N(c2ccc(/C=C\C(=O)c3ccccc3C=O)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C35H27NO2/c1-26-11-18-31(19-12-26)36(33-22-16-29(17-23-33)28-7-3-2-4-8-28)32-20-13-27(14-21-32)15-24-35(38)34-10-6-5-9-30(34)25-37/h2-25H,1H3/b24-15-
InChIKeyKVRYUKBERUFISN-IWIPYMOSSA-N
XLogP8.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]benzaldehyde
CID 173476667
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enoic acid
CID 123339824
methyl 3-[4-[4-(3-methoxy-3-oxoprop-1-enyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]prop-2-enoate
CID 76777420
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
3-[(E)-3-[4-[4-(5-methylcyclohepta-1,3,5,6-tetraen-1-yl)-N-[4-(3-methylphenyl)phenyl]anilino]phenyl]prop-2-enoyl]naphthalene-2-carbaldehyde
CID 173476968
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-(3,4-diphenylbuta-1,3-dienyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54320320

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde?
The IUPAC name of 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde (CID 173476758) is 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde.
What is the SMILES notation for 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde?
The canonical SMILES for 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde is Cc1ccc(N(c2ccc(/C=C\C(=O)c3ccccc3C=O)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde?
The InChIKey is KVRYUKBERUFISN-IWIPYMOSSA-N. The full InChI is InChI=1S/C35H27NO2/c1-26-11-18-31(19-12-26)36(33-22-16-29(17-23-33)28-7-3-2-4-8-28)32-20-13-27(14-21-32)15-24-35(38)34-10-6-5-9-30(34)25-37/h2-25H,1H3/b24-15-.
What are the key properties of 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde?
2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde has a molecular weight of 493.61 g/mol, XLogP of 8.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]prop-2-enoyl]benzaldehyde is sourced from PubChem (CID 173476758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).