6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole

C26H17BrN2 — CID 90060917

IUPAC6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-19-11-12-24-23(16-19)22-15-18-13-14-28(20-7-3-1-4-8-20)25(18)17-26(22)29(24)21-9-5-2-6-10-21/h1-17H
InChIKeyZAQKEKZXAWFWTK-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.49
Rot. Bonds2

About 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole

6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole (PubChem CID 90060917) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole
PubChem CID90060917
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole
SMILESBrc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-19-11-12-24-23(16-19)22-15-18-13-14-28(20-7-3-1-4-8-20)25(18)17-26(22)29(24)21-9-5-2-6-10-21/h1-17H
InChIKeyZAQKEKZXAWFWTK-UHFFFAOYSA-N
XLogP7.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole (CID 90060917) is 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole is Brc1ccc2c(c1)c1cc3ccn(-c4ccccc4)c3cc1n2-c1ccccc1.
What is the InChIKey of 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole?
The InChIKey is ZAQKEKZXAWFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-19-11-12-24-23(16-19)22-15-18-13-14-28(20-7-3-1-4-8-20)25(18)17-26(22)29(24)21-9-5-2-6-10-21/h1-17H.
What are the key properties of 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole?
6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole has a molecular weight of 437.34 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,9-diphenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 90060917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).