2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole

C51H44N2 — CID 138613963

IUPAC2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole
SMILESC/C1=C(c2ccccc2)/C=C(n2c3ccccc3c3ccc(-c4ccc5c(c4)C4C=CC=CC4N5C4C=CC=CC4)cc32)\C=C(\C2C=CC=CC2)CC1
InChIInChI=1S/C51H44N2/c1-35-25-26-38(36-15-5-2-6-16-36)31-42(34-46(35)37-17-7-3-8-18-37)53-48-23-13-11-21-43(48)45-29-27-40(33-51(45)53)39-28-30-50-47(32-39)44-22-12-14-24-49(44)52(50)41-19-9-4-10-20-41/h2-15,17-19,21-24,27-34,36,41,44,49H,16,20,25-26H2,1H3/b38-31+,42-34+,46-35+
InChIKeyQSAJGLKHPPMWIP-QIMYLSLXSA-N
MW684.93 g/mol
LogP12.91
Rot. Bonds5

About 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole

2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole (PubChem CID 138613963) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole.

Molecular Properties

Compound Name2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole
PubChem CID138613963
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole
SMILESC/C1=C(c2ccccc2)/C=C(n2c3ccccc3c3ccc(-c4ccc5c(c4)C4C=CC=CC4N5C4C=CC=CC4)cc32)\C=C(\C2C=CC=CC2)CC1
InChIInChI=1S/C51H44N2/c1-35-25-26-38(36-15-5-2-6-16-36)31-42(34-46(35)37-17-7-3-8-18-37)53-48-23-13-11-21-43(48)45-29-27-40(33-51(45)53)39-28-30-50-47(32-39)44-22-12-14-24-49(44)52(50)41-19-9-4-10-20-41/h2-15,17-19,21-24,27-34,36,41,44,49H,16,20,25-26H2,1H3/b38-31+,42-34+,46-35+
InChIKeyQSAJGLKHPPMWIP-QIMYLSLXSA-N
XLogP12.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole with MolForge

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Related Compounds

3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole
CID 163763884
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 163763883
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
6-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[4-[2-(cyclohexen-1-yl)-1-methyl-6-phenyl-2H-pyrimidin-4-yl]-8-methyl-7,8-dihydronaphthalen-1-yl]-2,3-dihydrocarbazole
CID 123456468
3-[4-[9-(3-cyclohexa-2,4-dien-1-ylphenyl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 145055677

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole?
The IUPAC name of 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole (CID 138613963) is 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole.
What is the SMILES notation for 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole?
The canonical SMILES for 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole is C/C1=C(c2ccccc2)/C=C(n2c3ccccc3c3ccc(-c4ccc5c(c4)C4C=CC=CC4N5C4C=CC=CC4)cc32)\C=C(\C2C=CC=CC2)CC1.
What is the InChIKey of 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole?
The InChIKey is QSAJGLKHPPMWIP-QIMYLSLXSA-N. The full InChI is InChI=1S/C51H44N2/c1-35-25-26-38(36-15-5-2-6-16-36)31-42(34-46(35)37-17-7-3-8-18-37)53-48-23-13-11-21-43(48)45-29-27-40(33-51(45)53)39-28-30-50-47(32-39)44-22-12-14-24-49(44)52(50)41-19-9-4-10-20-41/h2-15,17-19,21-24,27-34,36,41,44,49H,16,20,25-26H2,1H3/b38-31+,42-34+,46-35+.
What are the key properties of 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole?
2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole has a molecular weight of 684.93 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-cyclohexa-2,4-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-9-[(1E,3Z,7E)-7-cyclohexa-2,4-dien-1-yl-4-methyl-3-phenylcycloocta-1,3,7-trien-1-yl]carbazole is sourced from PubChem (CID 138613963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).