9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole

C26H17BrN2 — CID 90060927

IUPAC9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h1-17H
InChIKeyMZYNJKYLQAANSE-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.49
Rot. Bonds2

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

9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole (PubChem CID 90060927) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole
PubChem CID90060927
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole
SMILESBrc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1
InChIInChI=1S/C26H17BrN2/c27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h1-17H
InChIKeyMZYNJKYLQAANSE-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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole (CID 90060927) is 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole is Brc1ccc2c(c1)c1c3ccn(-c4ccccc4)c3ccc1n2-c1ccccc1.
What is the InChIKey of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole?
The InChIKey is MZYNJKYLQAANSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-18-11-12-24-22(17-18)26-21-15-16-28(19-7-3-1-4-8-19)23(21)13-14-25(26)29(24)20-9-5-2-6-10-20/h1-17H.
What are the key properties of 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole?
9-bromo-3,6-diphenylpyrrolo[2,3-c]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 9-bromo-3,6-diphenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 90060927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).