9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole

C25H18ClN — CID 142527185

IUPAC9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole
SMILESClc1ccc(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC=C2)cc1
InChIInChI=1S/C25H18ClN/c26-20-15-13-18(14-16-20)19-7-6-12-25-23(17-19)22-10-4-5-11-24(22)27(25)21-8-2-1-3-9-21/h1-11,13-17H,12H2
InChIKeyJQOVRICRVMZCMH-UHFFFAOYSA-N
MW367.88 g/mol
LogP6.94
Rot. Bonds2

About 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole

9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole (PubChem CID 142527185) has the molecular formula C25H18ClN and a molecular weight of 367.88 g/mol. Its IUPAC name is 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole.

Molecular Properties

Compound Name9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole
PubChem CID142527185
Molecular FormulaC25H18ClN
Molecular Weight367.88 g/mol
Exact Mass367.11
IUPAC Name9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole
SMILESClc1ccc(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC=C2)cc1
InChIInChI=1S/C25H18ClN/c26-20-15-13-18(14-16-20)19-7-6-12-25-23(17-19)22-10-4-5-11-24(22)27(25)21-8-2-1-3-9-21/h1-11,13-17H,12H2
InChIKeyJQOVRICRVMZCMH-UHFFFAOYSA-N
XLogP6.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(2,9-diphenyl-6H-cyclohepta[b]indol-5-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145290872
5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
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
9-[4-(10-phenylanthracen-9-yl)phenyl]-1,2-dihydrocarbazole
CID 143437997
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
5-[4-[5-(4-carbazol-9-ylnaphthalen-1-yl)-1-phenylpyrrol-2-yl]naphthalen-1-yl]-6H-cyclohepta[b]indole
CID 143850975
10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene
CID 142294442

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole?
The IUPAC name of 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole (CID 142527185) is 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole.
What is the SMILES notation for 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole?
The canonical SMILES for 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole is Clc1ccc(C2=Cc3c(n(-c4ccccc4)c4ccccc34)CC=C2)cc1.
What is the InChIKey of 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole?
The InChIKey is JQOVRICRVMZCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN/c26-20-15-13-18(14-16-20)19-7-6-12-25-23(17-19)22-10-4-5-11-24(22)27(25)21-8-2-1-3-9-21/h1-11,13-17H,12H2.
What are the key properties of 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole?
9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole has a molecular weight of 367.88 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)-5-phenyl-6H-cyclohepta[b]indole is sourced from PubChem (CID 142527185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).