7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

C32H21BrN2 — CID 90062445

IUPAC7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1cccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)c1
InChIInChI=1S/C32H21BrN2/c33-24-9-7-8-22(20-24)23-14-16-31-29(21-23)27-15-17-30-28(18-19-34(30)25-10-3-1-4-11-25)32(27)35(31)26-12-5-2-6-13-26/h1-21H
InChIKeyGPBCEQVTNMWJMR-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.16
Rot. Bonds3

About 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 90062445) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
PubChem CID90062445
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1cccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)c1
InChIInChI=1S/C32H21BrN2/c33-24-9-7-8-22(20-24)23-14-16-31-29(21-23)27-15-17-30-28(18-19-34(30)25-10-3-1-4-11-25)32(27)35(31)26-12-5-2-6-13-26/h1-21H
InChIKeyGPBCEQVTNMWJMR-UHFFFAOYSA-N
XLogP9.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (CID 90062445) is 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is Brc1cccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)c1.
What is the InChIKey of 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is GPBCEQVTNMWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-24-9-7-8-22(20-24)23-14-16-31-29(21-23)27-15-17-30-28(18-19-34(30)25-10-3-1-4-11-25)32(27)35(31)26-12-5-2-6-13-26/h1-21H.
What are the key properties of 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 513.44 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromophenyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).