3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole

C51H44N2 — CID 170180574

IUPAC3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC=Cc1cccc(-c2ccc(-n3c4c(c5cc(C6=Cc7c(n(-c8ccccc8)c8ccccc78)CC6)ccc53)CCCC4)cc2)c1C1=C(C)CCC=C1
InChIInChI=1S/C51H44N2/c1-3-35-15-13-21-42(51(35)41-18-8-7-14-34(41)2)36-24-28-40(29-25-36)53-48-23-12-10-20-44(48)46-33-38(27-31-50(46)53)37-26-30-49-45(32-37)43-19-9-11-22-47(43)52(49)39-16-5-4-6-17-39/h3-6,8-9,11,13,15-19,21-22,24-25,27-29,31-33H,1,7,10,12,14,20,23,26,30H2,2H3
InChIKeyAUUNSZADTHFQOI-UHFFFAOYSA-N
MW684.93 g/mol
LogP13.37
Rot. Bonds6

About 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole

3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole (PubChem CID 170180574) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole
PubChem CID170180574
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole
SMILESC=Cc1cccc(-c2ccc(-n3c4c(c5cc(C6=Cc7c(n(-c8ccccc8)c8ccccc78)CC6)ccc53)CCCC4)cc2)c1C1=C(C)CCC=C1
InChIInChI=1S/C51H44N2/c1-3-35-15-13-21-42(51(35)41-18-8-7-14-34(41)2)36-24-28-40(29-25-36)53-48-23-12-10-20-44(48)46-33-38(27-31-50(46)53)37-26-30-49-45(32-37)43-19-9-11-22-47(43)52(49)39-16-5-4-6-17-39/h3-6,8-9,11,13,15-19,21-22,24-25,27-29,31-33H,1,7,10,12,14,20,23,26,30H2,2H3
InChIKeyAUUNSZADTHFQOI-UHFFFAOYSA-N
XLogP13.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole 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

3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
3-[4-methyl-3-(2-methylcyclohexa-1,3-dien-1-yl)oxyphenyl]-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 142356605
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
3-[4-[2-[(1Z)-buta-1,3-dienyl]phenyl]-3-(2-methylphenyl)phenyl]-9-triphenylen-2-yl-1,2-dihydrocarbazole
CID 170137861
6-[3,5-bis(9-phenyl-5,6,7,8-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-1,2,3,4-tetrahydrocarbazole
CID 58663485
3-[9-[4-[2-(1,2-dihydrocarbazol-9-yl)-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166701788
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The IUPAC name of 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole (CID 170180574) is 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole.
What is the SMILES notation for 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The canonical SMILES for 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole is C=Cc1cccc(-c2ccc(-n3c4c(c5cc(C6=Cc7c(n(-c8ccccc8)c8ccccc78)CC6)ccc53)CCCC4)cc2)c1C1=C(C)CCC=C1.
What is the InChIKey of 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole?
The InChIKey is AUUNSZADTHFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2/c1-3-35-15-13-21-42(51(35)41-18-8-7-14-34(41)2)36-24-28-40(29-25-36)53-48-23-12-10-20-44(48)46-33-38(27-31-50(46)53)37-26-30-49-45(32-37)43-19-9-11-22-47(43)52(49)39-16-5-4-6-17-39/h3-6,8-9,11,13,15-19,21-22,24-25,27-29,31-33H,1,7,10,12,14,20,23,26,30H2,2H3.
What are the key properties of 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole?
3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 684.93 g/mol, XLogP of 13.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[3-ethenyl-2-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 170180574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).