1-(4-bromophenyl)indole

C28H20Br2N2 — CID 139046364

IUPAC1-(4-bromophenyl)indole
SMILESBrc1ccc(-n2ccc3ccccc32)cc1.Brc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/2C14H10BrN/c2*15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h2*1-10H
InChIKeyCVXROSFALDKLDL-UHFFFAOYSA-N
MW544.29 g/mol
LogP8.79
Rot. Bonds2

About 1-(4-bromophenyl)indole

1-(4-bromophenyl)indole (PubChem CID 139046364) has the molecular formula C28H20Br2N2 and a molecular weight of 544.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)indole.

Molecular Properties

Compound Name1-(4-bromophenyl)indole
PubChem CID139046364
Molecular FormulaC28H20Br2N2
Molecular Weight544.29 g/mol
Exact Mass542.00
IUPAC Name1-(4-bromophenyl)indole
SMILESBrc1ccc(-n2ccc3ccccc32)cc1.Brc1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/2C14H10BrN/c2*15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h2*1-10H
InChIKeyCVXROSFALDKLDL-UHFFFAOYSA-N
XLogP8.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.29
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dibromo-9-ethylcarbazole
CID 631855
9-(4-Bromophenyl)carbazole
CID 22361390
Benzindopyrine
CID 21770
(3r,4s)-1-[(2-Bromo-6-Fluorophenyl)methyl]-N,N-Dimethyl-4-(1-Methyl-1h-Indol-3-Yl)pyrrolidin-3-Amine
CID 124220776
1H-Indole, 1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-
CID 563919
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
1-Methyl-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10474937
1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-butyl}-1H-indole
CID 15205887
1-Benzyl-3-bromoquinolin-1-ium bromide
CID 24892266
5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 44556677
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
8-bromo-2-methyl-5-(2-(pyridin-2-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 54582939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)indole?
The IUPAC name of 1-(4-bromophenyl)indole (CID 139046364) is 1-(4-bromophenyl)indole.
What is the SMILES notation for 1-(4-bromophenyl)indole?
The canonical SMILES for 1-(4-bromophenyl)indole is Brc1ccc(-n2ccc3ccccc32)cc1.Brc1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of 1-(4-bromophenyl)indole?
The InChIKey is CVXROSFALDKLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10BrN/c2*15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h2*1-10H.
What are the key properties of 1-(4-bromophenyl)indole?
1-(4-bromophenyl)indole has a molecular weight of 544.29 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)indole is sourced from PubChem (CID 139046364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).