N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol

C38H36N2O — CID 145083028

IUPACN-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol
SMILESC=C(/C=C\C=C/O)c1ccccc1.C=C/C(=C(\C=C/C)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1C
InChIInChI=1S/C26H24N2.C12H12O/c1-4-10-24(20(5-2)21-12-7-6-11-18(21)3)27-19-15-16-26-23(17-19)22-13-8-9-14-25(22)28-26;1-11(7-5-6-10-13)12-8-3-2-4-9-12/h4-17,27-28H,2H2,1,3H3;2-10,13H,1H2/b10-4-,24-20-;7-5-,10-6-
InChIKeyJDCJTSCVGWJISZ-LKTLPLRVSA-N
MW536.72 g/mol
LogP10.54
Rot. Bonds8

About N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol

N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol (PubChem CID 145083028) has the molecular formula C38H36N2O and a molecular weight of 536.72 g/mol. Its IUPAC name is N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol.

Molecular Properties

Compound NameN-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol
PubChem CID145083028
Molecular FormulaC38H36N2O
Molecular Weight536.72 g/mol
Exact Mass536.28
IUPAC NameN-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol
SMILESC=C(/C=C\C=C/O)c1ccccc1.C=C/C(=C(\C=C/C)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1C
InChIInChI=1S/C26H24N2.C12H12O/c1-4-10-24(20(5-2)21-12-7-6-11-18(21)3)27-19-15-16-26-23(17-19)22-13-8-9-14-25(22)28-26;1-11(7-5-6-10-13)12-8-3-2-4-9-12/h4-17,27-28H,2H2,1,3H3;2-10,13H,1H2/b10-4-,24-20-;7-5-,10-6-
InChIKeyJDCJTSCVGWJISZ-LKTLPLRVSA-N
XLogP10.54
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 510.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol?
The IUPAC name of N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol (CID 145083028) is N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol.
What is the SMILES notation for N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol?
The canonical SMILES for N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol is C=C(/C=C\C=C/O)c1ccccc1.C=C/C(=C(\C=C/C)Nc1ccc2[nH]c3ccccc3c2c1)c1ccccc1C.
What is the InChIKey of N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol?
The InChIKey is JDCJTSCVGWJISZ-LKTLPLRVSA-N. The full InChI is InChI=1S/C26H24N2.C12H12O/c1-4-10-24(20(5-2)21-12-7-6-11-18(21)3)27-19-15-16-26-23(17-19)22-13-8-9-14-25(22)28-26;1-11(7-5-6-10-13)12-8-3-2-4-9-12/h4-17,27-28H,2H2,1,3H3;2-10,13H,1H2/b10-4-,24-20-;7-5-,10-6-.
What are the key properties of N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol?
N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol has a molecular weight of 536.72 g/mol, XLogP of 10.54, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-3-(2-methylphenyl)hepta-1,3,5-trien-4-yl]-9H-carbazol-3-amine;(1Z,3Z)-5-phenylhexa-1,3,5-trien-1-ol is sourced from PubChem (CID 145083028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).