5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole

C37H26N2 — CID 123942675

IUPAC5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
SMILESC1=CCc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2ccccc2)C=C1
InChIInChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-34-18-9-3-8-16-30(34)32-24-26(20-22-36(32)38)27-21-23-37-33(25-27)31-17-10-11-19-35(31)39(37)29-14-6-2-7-15-29/h1-17,19-25H,18H2
InChIKeySXNYILPRTVKGOE-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.52
Rot. Bonds3

About 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole

5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole (PubChem CID 123942675) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole.

Molecular Properties

Compound Name5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
PubChem CID123942675
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
SMILESC1=CCc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2ccccc2)C=C1
InChIInChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-34-18-9-3-8-16-30(34)32-24-26(20-22-36(32)38)27-21-23-37-33(25-27)31-17-10-11-19-35(31)39(37)29-14-6-2-7-15-29/h1-17,19-25H,18H2
InChIKeySXNYILPRTVKGOE-UHFFFAOYSA-N
XLogP9.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[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

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
CID 143850975
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole?
The IUPAC name of 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole (CID 123942675) is 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole.
What is the SMILES notation for 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole?
The canonical SMILES for 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole is C1=CCc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2ccccc2)C=C1.
What is the InChIKey of 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole?
The InChIKey is SXNYILPRTVKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-4-12-28(13-5-1)38-34-18-9-3-8-16-30(34)32-24-26(20-22-36(32)38)27-21-23-37-33(25-27)31-17-10-11-19-35(31)39(37)29-14-6-2-7-15-29/h1-17,19-25H,18H2.
What are the key properties of 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole?
5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole has a molecular weight of 498.63 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole is sourced from PubChem (CID 123942675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).