2-bromo-5-phenyl-8H-cyclohepta[b]indole

C19H14BrN — CID 144976450

IUPAC2-bromo-5-phenyl-8H-cyclohepta[b]indole
SMILESBrc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC=C1
InChIInChI=1S/C19H14BrN/c20-14-11-12-19-17(13-14)16-9-5-2-6-10-18(16)21(19)15-7-3-1-4-8-15/h1,3-13H,2H2
InChIKeyGKFSAUZAQGIZCG-UHFFFAOYSA-N
MW336.23 g/mol
LogP5.82
Rot. Bonds1

About 2-bromo-5-phenyl-8H-cyclohepta[b]indole

2-bromo-5-phenyl-8H-cyclohepta[b]indole (PubChem CID 144976450) has the molecular formula C19H14BrN and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-bromo-5-phenyl-8H-cyclohepta[b]indole.

Molecular Properties

Compound Name2-bromo-5-phenyl-8H-cyclohepta[b]indole
PubChem CID144976450
Molecular FormulaC19H14BrN
Molecular Weight336.23 g/mol
Exact Mass335.03
IUPAC Name2-bromo-5-phenyl-8H-cyclohepta[b]indole
SMILESBrc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC=C1
InChIInChI=1S/C19H14BrN/c20-14-11-12-19-17(13-14)16-9-5-2-6-10-18(16)21(19)15-7-3-1-4-8-15/h1,3-13H,2H2
InChIKeyGKFSAUZAQGIZCG-UHFFFAOYSA-N
XLogP5.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.23
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
15,15-dimethyl-11,19-diphenyl-11,19-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,26]octacosa-1(16),2(14),3,5,7,9,12,17,20(26),21,24,27-dodecaene
CID 146246041
5-phenyl-2-[9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-8H-cyclohepta[b]indole
CID 163640688
CID 89213448
CID 89213448
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-8H-cyclohepta[b]indol-2-yl]phenyl]fluoren-2-amine
CID 155442064
9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
CID 90267791
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
CID 145280447
2-bromo-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6H-cyclohepta[b]indole
CID 144976413
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
5-bromo-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 142712012
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenyl-8H-cyclohepta[b]indole?
The IUPAC name of 2-bromo-5-phenyl-8H-cyclohepta[b]indole (CID 144976450) is 2-bromo-5-phenyl-8H-cyclohepta[b]indole.
What is the SMILES notation for 2-bromo-5-phenyl-8H-cyclohepta[b]indole?
The canonical SMILES for 2-bromo-5-phenyl-8H-cyclohepta[b]indole is Brc1ccc2c(c1)c1c(n2-c2ccccc2)C=CCC=C1.
What is the InChIKey of 2-bromo-5-phenyl-8H-cyclohepta[b]indole?
The InChIKey is GKFSAUZAQGIZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN/c20-14-11-12-19-17(13-14)16-9-5-2-6-10-18(16)21(19)15-7-3-1-4-8-15/h1,3-13H,2H2.
What are the key properties of 2-bromo-5-phenyl-8H-cyclohepta[b]indole?
2-bromo-5-phenyl-8H-cyclohepta[b]indole has a molecular weight of 336.23 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenyl-8H-cyclohepta[b]indole is sourced from PubChem (CID 144976450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).