1-(3-bromophenyl)benzo[g]indole

C18H12BrN — CID 134534382

IUPAC1-(3-bromophenyl)benzo[g]indole
SMILESBrc1cccc(-n2ccc3ccc4ccccc4c32)c1
InChIInChI=1S/C18H12BrN/c19-15-5-3-6-16(12-15)20-11-10-14-9-8-13-4-1-2-7-17(13)18(14)20/h1-12H
InChIKeyDXCQIPQUHBJHHT-UHFFFAOYSA-N
MW322.21 g/mol
LogP5.55
Rot. Bonds1

About 1-(3-bromophenyl)benzo[g]indole

1-(3-bromophenyl)benzo[g]indole (PubChem CID 134534382) has the molecular formula C18H12BrN and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)benzo[g]indole.

Molecular Properties

Compound Name1-(3-bromophenyl)benzo[g]indole
PubChem CID134534382
Molecular FormulaC18H12BrN
Molecular Weight322.21 g/mol
Exact Mass321.02
IUPAC Name1-(3-bromophenyl)benzo[g]indole
SMILESBrc1cccc(-n2ccc3ccc4ccccc4c32)c1
InChIInChI=1S/C18H12BrN/c19-15-5-3-6-16(12-15)20-11-10-14-9-8-13-4-1-2-7-17(13)18(14)20/h1-12H
InChIKeyDXCQIPQUHBJHHT-UHFFFAOYSA-N
XLogP5.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.21
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)benzo[g]indole?
The IUPAC name of 1-(3-bromophenyl)benzo[g]indole (CID 134534382) is 1-(3-bromophenyl)benzo[g]indole.
What is the SMILES notation for 1-(3-bromophenyl)benzo[g]indole?
The canonical SMILES for 1-(3-bromophenyl)benzo[g]indole is Brc1cccc(-n2ccc3ccc4ccccc4c32)c1.
What is the InChIKey of 1-(3-bromophenyl)benzo[g]indole?
The InChIKey is DXCQIPQUHBJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN/c19-15-5-3-6-16(12-15)20-11-10-14-9-8-13-4-1-2-7-17(13)18(14)20/h1-12H.
What are the key properties of 1-(3-bromophenyl)benzo[g]indole?
1-(3-bromophenyl)benzo[g]indole has a molecular weight of 322.21 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)benzo[g]indole is sourced from PubChem (CID 134534382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).