7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

C31H20BrN3 — CID 90062520

IUPAC7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)nc1
InChIInChI=1S/C31H20BrN3/c32-22-12-14-28(33-20-22)21-11-15-30-27(19-21)25-13-16-29-26(17-18-34(29)23-7-3-1-4-8-23)31(25)35(30)24-9-5-2-6-10-24/h1-20H
InChIKeyXQUPUQHYXSMWPF-UHFFFAOYSA-N
MW514.43 g/mol
LogP8.55
Rot. Bonds3

About 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole

7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (PubChem CID 90062520) has the molecular formula C31H20BrN3 and a molecular weight of 514.43 g/mol. Its IUPAC name is 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
PubChem CID90062520
Molecular FormulaC31H20BrN3
Molecular Weight514.43 g/mol
Exact Mass513.08
IUPAC Name7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole
SMILESBrc1ccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)nc1
InChIInChI=1S/C31H20BrN3/c32-22-12-14-28(33-20-22)21-11-15-30-27(19-21)25-13-16-29-26(17-18-34(29)23-7-3-1-4-8-23)31(25)35(30)24-9-5-2-6-10-24/h1-20H
InChIKeyXQUPUQHYXSMWPF-UHFFFAOYSA-N
XLogP8.55
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.43
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The IUPAC name of 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole (CID 90062520) is 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole.
What is the SMILES notation for 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The canonical SMILES for 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is Brc1ccc(-c2ccc3c(c2)c2ccc4c(ccn4-c4ccccc4)c2n3-c2ccccc2)nc1.
What is the InChIKey of 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
The InChIKey is XQUPUQHYXSMWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN3/c32-22-12-14-28(33-20-22)21-11-15-30-27(19-21)25-13-16-29-26(17-18-34(29)23-7-3-1-4-8-23)31(25)35(30)24-9-5-2-6-10-24/h1-20H.
What are the key properties of 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole?
7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole has a molecular weight of 514.43 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-pyridinyl)-3,10-diphenylpyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90062520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).