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

C26H17BrN2 — CID 90062540

IUPAC7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3ccn4-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C26H17BrN2/c27-19-8-12-24-23(16-19)21-11-13-25-22(26(21)28-24)14-15-29(25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-16,28H
InChIKeyZBSZEQNBGRGQMH-UHFFFAOYSA-N
MW437.34 g/mol
LogP7.69
Rot. Bonds2

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

7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole (PubChem CID 90062540) has the molecular formula C26H17BrN2 and a molecular weight of 437.34 g/mol. Its IUPAC name is 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole
PubChem CID90062540
Molecular FormulaC26H17BrN2
Molecular Weight437.34 g/mol
Exact Mass436.06
IUPAC Name7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole
SMILESBrc1ccc2[nH]c3c(ccc4c3ccn4-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C26H17BrN2/c27-19-8-12-24-23(16-19)21-11-13-25-22(26(21)28-24)14-15-29(25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-16,28H
InChIKeyZBSZEQNBGRGQMH-UHFFFAOYSA-N
XLogP7.69
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole (CID 90062540) is 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole is Brc1ccc2[nH]c3c(ccc4c3ccn4-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is ZBSZEQNBGRGQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrN2/c27-19-8-12-24-23(16-19)21-11-13-25-22(26(21)28-24)14-15-29(25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-16,28H.
What are the key properties of 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole?
7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 437.34 g/mol, XLogP of 7.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(4-phenylphenyl)-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).