2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline

C38H32N2 — CID 144579159

IUPAC2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline
SMILESC=C(/C=C\C(=C/C)c1ccc2c(c1)[nH]c1ccccc12)c1ccccc1Nc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H32N2/c1-4-28(31-21-24-35-34-10-6-8-12-37(34)40-38(35)25-31)18-15-27(3)33-9-5-7-11-36(33)39-32-22-19-30(20-23-32)29-16-13-26(2)14-17-29/h4-25,39-40H,3H2,1-2H3/b18-15-,28-4+
InChIKeyKIPCVKDVMYEHQX-PXKYQYKUSA-N
MW516.69 g/mol
LogP10.71
Rot. Bonds7

About 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline

2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline (PubChem CID 144579159) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline
PubChem CID144579159
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline
SMILESC=C(/C=C\C(=C/C)c1ccc2c(c1)[nH]c1ccccc12)c1ccccc1Nc1ccc(-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H32N2/c1-4-28(31-21-24-35-34-10-6-8-12-37(34)40-38(35)25-31)18-15-27(3)33-9-5-7-11-36(33)39-32-22-19-30(20-23-32)29-16-13-26(2)14-17-29/h4-25,39-40H,3H2,1-2H3/b18-15-,28-4+
InChIKeyKIPCVKDVMYEHQX-PXKYQYKUSA-N
XLogP10.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078
8-methyl-5H-benzo[b]carbazole
CID 154982200
1-methyl-N-phenyl-9H-carbazol-2-amine
CID 178015352
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
CID 144925819
5-(9H-carbazol-2-yl)-11-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzo[a]carbazole
CID 144661617
ethene;N-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]-4-phenylaniline
CID 145067455
ethane;methyl 2-(4-methylanilino)benzoate
CID 91139504
N-(9H-carbazol-3-yl)-4-phenylbenzamide
CID 43917247
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
N'-[2-[[3-[2-[(3Z,5E)-5-[9-[(1Z,3Z)-hexa-1,3,5-trienyl]carbazol-3-yl]hepta-1,3,5-trien-2-yl]anilino]phenyl]methyl]naphthalen-1-yl]benzenecarboximidamide;prop-1-ene
CID 144780599
1,3-dimethyl-10H-acridin-9-one;2-(3,5-dimethylanilino)benzoic acid
CID 162218802
N-[4-[5-[4-(9H-carbazol-1-ylamino)phenyl]-3,4-diphenylthiophen-2-yl]phenyl]-9H-carbazol-1-amine
CID 139964419

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline?
The IUPAC name of 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline (CID 144579159) is 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline?
The canonical SMILES for 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline is C=C(/C=C\C(=C/C)c1ccc2c(c1)[nH]c1ccccc12)c1ccccc1Nc1ccc(-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline?
The InChIKey is KIPCVKDVMYEHQX-PXKYQYKUSA-N. The full InChI is InChI=1S/C38H32N2/c1-4-28(31-21-24-35-34-10-6-8-12-37(34)40-38(35)25-31)18-15-27(3)33-9-5-7-11-36(33)39-32-22-19-30(20-23-32)29-16-13-26(2)14-17-29/h4-25,39-40H,3H2,1-2H3/b18-15-,28-4+.
What are the key properties of 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline?
2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline has a molecular weight of 516.69 g/mol, XLogP of 10.71, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5E)-5-(9H-carbazol-2-yl)hepta-1,3,5-trien-2-yl]-N-[4-(4-methylphenyl)phenyl]aniline is sourced from PubChem (CID 144579159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).