3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole

C59H45N3 — CID 146280245

IUPAC3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole
SMILESC1=CCCC(c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(c5ccccc5)=C4)ccc2n3C2CC(c3ccccc3)=CC(c3ccccc3)=N2)=C1
InChIInChI=1S/C59H45N3/c1-6-16-40(17-7-1)44-26-30-55-50(34-44)51-36-46(28-31-56(51)61(55)49-24-14-5-15-25-49)47-29-33-58-53(37-47)52-35-45(41-18-8-2-9-19-41)27-32-57(52)62(58)59-39-48(42-20-10-3-11-21-42)38-54(60-59)43-22-12-4-13-23-43/h1-8,10-18,20-25,27-29,31-38,59H,9,19,26,30,39H2
InChIKeyLECHHUVYHQCEEN-UHFFFAOYSA-N
MW796.03 g/mol
LogP15.10
Rot. Bonds7

About 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole

3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole (PubChem CID 146280245) has the molecular formula C59H45N3 and a molecular weight of 796.03 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole
PubChem CID146280245
Molecular FormulaC59H45N3
Molecular Weight796.03 g/mol
Exact Mass795.36
IUPAC Name3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole
SMILESC1=CCCC(c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(c5ccccc5)=C4)ccc2n3C2CC(c3ccccc3)=CC(c3ccccc3)=N2)=C1
InChIInChI=1S/C59H45N3/c1-6-16-40(17-7-1)44-26-30-55-50(34-44)51-36-46(28-31-56(51)61(55)49-24-14-5-15-25-49)47-29-33-58-53(37-47)52-35-45(41-18-8-2-9-19-41)27-32-57(52)62(58)59-39-48(42-20-10-3-11-21-42)38-54(60-59)43-22-12-4-13-23-43/h1-8,10-18,20-25,27-29,31-38,59H,9,19,26,30,39H2
InChIKeyLECHHUVYHQCEEN-UHFFFAOYSA-N
XLogP15.10
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.03
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole 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-(6-cyclohexa-1,3-dien-1-yl-9-phenyl-7,8-dihydrocarbazol-3-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 89431262
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
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
9-phenyl-6-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 88932452
3-cyclohexa-1,3-dien-1-yl-9-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,2-dihydrocarbazole
CID 155365128
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(4-cyclohexa-1,3-dien-1-ylphenyl)-3-(4-cyclohexylcyclohexa-1,3-dien-1-yl)carbazole
CID 129022093
3-cyclohexa-1,3-dien-1-yl-6-[5-[2-[3-[3-(2-methylphenyl)-5-phenylphenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazole
CID 129298706
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole (CID 146280245) is 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole is C1=CCCC(c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4c(n5-c5ccccc5)CCC(c5ccccc5)=C4)ccc2n3C2CC(c3ccccc3)=CC(c3ccccc3)=N2)=C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole?
The InChIKey is LECHHUVYHQCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45N3/c1-6-16-40(17-7-1)44-26-30-55-50(34-44)51-36-46(28-31-56(51)61(55)49-24-14-5-15-25-49)47-29-33-58-53(37-47)52-35-45(41-18-8-2-9-19-41)27-32-57(52)62(58)59-39-48(42-20-10-3-11-21-42)38-54(60-59)43-22-12-4-13-23-43/h1-8,10-18,20-25,27-29,31-38,59H,9,19,26,30,39H2.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole?
3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole has a molecular weight of 796.03 g/mol, XLogP of 15.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-6-(6,9-diphenyl-7,8-dihydrocarbazol-3-yl)-9-(4,6-diphenyl-2,3-dihydropyridin-2-yl)carbazole is sourced from PubChem (CID 146280245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).