cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine

C50H40N2 — CID 129084361

IUPACcyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine
SMILES[H]/N=C(\C1=CC=CCC1)c1c(C=C)n(-c2ccccc2)c2ccc(-c3ccc(/C(c4ccccc4)=c4/cccc/c4=C(/C)c4ccccc4)cc3)cc12
InChIInChI=1S/C50H40N2/c1-3-46-49(50(51)40-22-12-6-13-23-40)45-34-41(32-33-47(45)52(46)42-24-14-7-15-25-42)37-28-30-39(31-29-37)48(38-20-10-5-11-21-38)44-27-17-16-26-43(44)35(2)36-18-8-4-9-19-36/h3-12,14-22,24-34,51H,1,13,23H2,2H3/b43-35+,48-44-,51-50+
InChIKeyJCGCHSALCLBLLI-OJJVJVPMSA-N
MW668.88 g/mol
LogP11.05
Rot. Bonds8

About cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine

cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine (PubChem CID 129084361) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine
PubChem CID129084361
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Namecyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine
SMILES[H]/N=C(\C1=CC=CCC1)c1c(C=C)n(-c2ccccc2)c2ccc(-c3ccc(/C(c4ccccc4)=c4/cccc/c4=C(/C)c4ccccc4)cc3)cc12
InChIInChI=1S/C50H40N2/c1-3-46-49(50(51)40-22-12-6-13-23-40)45-34-41(32-33-47(45)52(46)42-24-14-7-15-25-42)37-28-30-39(31-29-37)48(38-20-10-5-11-21-38)44-27-17-16-26-43(44)35(2)36-18-8-4-9-19-36/h3-12,14-22,24-34,51H,1,13,23H2,2H3/b43-35+,48-44-,51-50+
InChIKeyJCGCHSALCLBLLI-OJJVJVPMSA-N
XLogP11.05
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 511.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine 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

cyclohexa-1,3-dien-1-yl-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-ethenyl-1-phenylindol-3-yl]methanimine
CID 134257084
benzenecarboximidoyl 4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]benzenecarboximidate
CID 158693887
benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate
CID 147193372
3-penta-2,4-dien-2-yl-6,9-diphenylcarbazole
CID 123470872
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
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
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate
CID 143952725
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine?
The IUPAC name of cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine (CID 129084361) is cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine is [H]/N=C(\C1=CC=CCC1)c1c(C=C)n(-c2ccccc2)c2ccc(-c3ccc(/C(c4ccccc4)=c4/cccc/c4=C(/C)c4ccccc4)cc3)cc12.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine?
The InChIKey is JCGCHSALCLBLLI-OJJVJVPMSA-N. The full InChI is InChI=1S/C50H40N2/c1-3-46-49(50(51)40-22-12-6-13-23-40)45-34-41(32-33-47(45)52(46)42-24-14-7-15-25-42)37-28-30-39(31-29-37)48(38-20-10-5-11-21-38)44-27-17-16-26-43(44)35(2)36-18-8-4-9-19-36/h3-12,14-22,24-34,51H,1,13,23H2,2H3/b43-35+,48-44-,51-50+.
What are the key properties of cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine?
cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine has a molecular weight of 668.88 g/mol, XLogP of 11.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-[2-ethenyl-1-phenyl-5-[4-[(Z)-phenyl-[(6E)-6-(1-phenylethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]phenyl]indol-3-yl]methanimine is sourced from PubChem (CID 129084361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).