7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole

C32H21BrN2 — CID 90035406

IUPAC7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccc(-c4ccccc4)cc3)c1n2-c1ccccc1
InChIInChI=1S/C32H21BrN2/c33-24-13-17-31-29(21-24)27-16-18-30-28(32(27)35(31)26-9-5-2-6-10-26)19-20-34(30)25-14-11-23(12-15-25)22-7-3-1-4-8-22/h1-21H
InChIKeyJPFXSLBMMCDGMG-UHFFFAOYSA-N
MW513.44 g/mol
LogP9.16
Rot. Bonds3

About 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole

7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 90035406) has the molecular formula C32H21BrN2 and a molecular weight of 513.44 g/mol. Its IUPAC name is 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID90035406
Molecular FormulaC32H21BrN2
Molecular Weight513.44 g/mol
Exact Mass512.09
IUPAC Name7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2c(c1)c1ccc3c(ccn3-c3ccc(-c4ccccc4)cc3)c1n2-c1ccccc1
InChIInChI=1S/C32H21BrN2/c33-24-13-17-31-29(21-24)27-16-18-30-28(32(27)35(31)26-9-5-2-6-10-26)19-20-34(30)25-14-11-23(12-15-25)22-7-3-1-4-8-22/h1-21H
InChIKeyJPFXSLBMMCDGMG-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-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole (CID 90035406) is 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole is Brc1ccc2c(c1)c1ccc3c(ccn3-c3ccc(-c4ccccc4)cc3)c1n2-c1ccccc1.
What is the InChIKey of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is JPFXSLBMMCDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21BrN2/c33-24-13-17-31-29(21-24)27-16-18-30-28(32(27)35(31)26-9-5-2-6-10-26)19-20-34(30)25-14-11-23(12-15-25)22-7-3-1-4-8-22/h1-21H.
What are the key properties of 7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole?
7-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[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-bromo-10-phenyl-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90035406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).