5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole

C52H34N4 — CID 155085327

IUPAC5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6c(c7cnccc75)CCC=C6)cc4)c3)cc2)cc#1
InChIInChI=1S/C52H34N4/c1-3-9-35(10-4-1)39-19-25-50-46(30-39)47-31-40(36-11-5-2-6-12-36)20-26-51(47)56(50)44-23-17-38(18-24-44)42-29-41(32-54-33-42)37-15-21-43(22-16-37)55-49-14-8-7-13-45(49)48-34-53-28-27-52(48)55/h1,3-5,8-12,14-34H,7,13H2
InChIKeyCIIDYYSNXDCILP-UHFFFAOYSA-N
MW714.87 g/mol
LogP12.75
Rot. Bonds6

About 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole

5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole (PubChem CID 155085327) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole
PubChem CID155085327
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6c(c7cnccc75)CCC=C6)cc4)c3)cc2)cc#1
InChIInChI=1S/C52H34N4/c1-3-9-35(10-4-1)39-19-25-50-46(30-39)47-31-40(36-11-5-2-6-12-36)20-26-51(47)56(50)44-23-17-38(18-24-44)42-29-41(32-54-33-42)37-15-21-43(22-16-37)55-49-14-8-7-13-45(49)48-34-53-28-27-52(48)55/h1,3-5,8-12,14-34H,7,13H2
InChIKeyCIIDYYSNXDCILP-UHFFFAOYSA-N
XLogP12.75
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole 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

8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
9-[4-(1,2-diphenyl-4,5-dihydroindol-3-yl)phenyl]-3-[4-(1,2-diphenylindol-3-yl)phenyl]-6-phenylcarbazole
CID 88530896
3-(9-cyclohexa-1,5-dien-3-yn-1-ylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 126611340
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole?
The IUPAC name of 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole (CID 155085327) is 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole?
The canonical SMILES for 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cncc(-c4ccc(-n5c6c(c7cnccc75)CCC=C6)cc4)c3)cc2)cc#1.
What is the InChIKey of 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole?
The InChIKey is CIIDYYSNXDCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-9-35(10-4-1)39-19-25-50-46(30-39)47-31-40(36-11-5-2-6-12-36)20-26-51(47)56(50)44-23-17-38(18-24-44)42-29-41(32-54-33-42)37-15-21-43(22-16-37)55-49-14-8-7-13-45(49)48-34-53-28-27-52(48)55/h1,3-5,8-12,14-34H,7,13H2.
What are the key properties of 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole?
5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole has a molecular weight of 714.87 g/mol, XLogP of 12.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[4-(3-cyclohexa-1,5-dien-3-yn-1-yl-6-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-8,9-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 155085327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).