5-phenylcyclohepta[b]indole

C19H13N — CID 123553418

IUPAC5-phenylcyclohepta[b]indole
SMILESC1=CC=Cc2c(c3ccccc3n2-c2ccccc2)C=1
InChIInChI=1S/C19H13N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)20/h1-4,6-14H
InChIKeyJIFXTLYSTCGDEZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP4.83
Rot. Bonds1

About 5-phenylcyclohepta[b]indole

5-phenylcyclohepta[b]indole (PubChem CID 123553418) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-phenylcyclohepta[b]indole.

Molecular Properties

Compound Name5-phenylcyclohepta[b]indole
PubChem CID123553418
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name5-phenylcyclohepta[b]indole
SMILESC1=CC=Cc2c(c3ccccc3n2-c2ccccc2)C=1
InChIInChI=1S/C19H13N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)20/h1-4,6-14H
InChIKeyJIFXTLYSTCGDEZ-UHFFFAOYSA-N
XLogP4.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole
CID 170005538
3-(4,6-dichloro-1,3,5-triazin-2-yl)-5-phenylcyclohepta[b]indole
CID 170078998
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 149037909
9-phenylcarbazole;pyridine
CID 158880805
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428340
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
5-phenyl-7,8-dihydro-6H-cyclohepta[b]indole
CID 143532296
(2R)-1,2-dimethyl-9-phenyl-1,2-dihydrocarbazole
CID 70929960
2-methyl-9-phenylcarbazole
CID 59552741
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579

Frequently Asked Questions

What is the IUPAC name of 5-phenylcyclohepta[b]indole?
The IUPAC name of 5-phenylcyclohepta[b]indole (CID 123553418) is 5-phenylcyclohepta[b]indole.
What is the SMILES notation for 5-phenylcyclohepta[b]indole?
The canonical SMILES for 5-phenylcyclohepta[b]indole is C1=CC=Cc2c(c3ccccc3n2-c2ccccc2)C=1.
What is the InChIKey of 5-phenylcyclohepta[b]indole?
The InChIKey is JIFXTLYSTCGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N/c1-3-9-15(10-4-1)20-18-13-6-2-5-11-16(18)17-12-7-8-14-19(17)20/h1-4,6-14H.
What are the key properties of 5-phenylcyclohepta[b]indole?
5-phenylcyclohepta[b]indole has a molecular weight of 255.32 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylcyclohepta[b]indole is sourced from PubChem (CID 123553418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).