(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane

C38H32N2 — CID 144925182

IUPAC(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane
SMILESC=C/C(C#N)=C\Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1.CC
InChIInChI=1S/C36H26N2.C2H6/c1-2-26(25-37)13-14-27-15-17-29(18-16-27)31-20-22-36-34(24-31)33-23-30(28-9-5-3-6-10-28)19-21-35(33)38(36)32-11-7-4-8-12-32;1-2/h2-13,15-24H,1,14H2;1-2H3/b26-13+;
InChIKeyNOZREZAJDMJWHT-WDEXQARFSA-N
MW516.69 g/mol
LogP10.32
Rot. Bonds6

About (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane

(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane (PubChem CID 144925182) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane.

Molecular Properties

Compound Name(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane
PubChem CID144925182
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane
SMILESC=C/C(C#N)=C\Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1.CC
InChIInChI=1S/C36H26N2.C2H6/c1-2-26(25-37)13-14-27-15-17-29(18-16-27)31-20-22-36-34(24-31)33-23-30(28-9-5-3-6-10-28)19-21-35(33)38(36)32-11-7-4-8-12-32;1-2/h2-13,15-24H,1,14H2;1-2H3/b26-13+;
InChIKeyNOZREZAJDMJWHT-WDEXQARFSA-N
XLogP10.32
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane 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-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
9-phenyl-3-[4-[[4-(4-phenylphenyl)phenyl]methyl]phenyl]carbazole
CID 157272513
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
(2E,5Z,7Z)-5-amino-9-(6,9-diphenylcarbazol-3-yl)-2-methyl-4-methylidenenona-2,5,7-trienenitrile
CID 144924519
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane?
The IUPAC name of (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane (CID 144925182) is (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane.
What is the SMILES notation for (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane?
The canonical SMILES for (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane is C=C/C(C#N)=C\Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)cc1.CC.
What is the InChIKey of (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane?
The InChIKey is NOZREZAJDMJWHT-WDEXQARFSA-N. The full InChI is InChI=1S/C36H26N2.C2H6/c1-2-26(25-37)13-14-27-15-17-29(18-16-27)31-20-22-36-34(24-31)33-23-30(28-9-5-3-6-10-28)19-21-35(33)38(36)32-11-7-4-8-12-32;1-2/h2-13,15-24H,1,14H2;1-2H3/b26-13+;.
What are the key properties of (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane?
(E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane has a molecular weight of 516.69 g/mol, XLogP of 10.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-2-ethenylbut-2-enenitrile;ethane is sourced from PubChem (CID 144925182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).