9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole

C35H22BrN3 — CID 59372072

IUPAC9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole
SMILESBrc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C35H22BrN3/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39/h1-22H
InChIKeyAIPYRMZNYHLFTJ-UHFFFAOYSA-N
MW564.49 g/mol
LogP9.71
Rot. Bonds3

About 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole

9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole (PubChem CID 59372072) has the molecular formula C35H22BrN3 and a molecular weight of 564.49 g/mol. Its IUPAC name is 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole
PubChem CID59372072
Molecular FormulaC35H22BrN3
Molecular Weight564.49 g/mol
Exact Mass563.10
IUPAC Name9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole
SMILESBrc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C35H22BrN3/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39/h1-22H
InChIKeyAIPYRMZNYHLFTJ-UHFFFAOYSA-N
XLogP9.71
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.49
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole?
The IUPAC name of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole (CID 59372072) is 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole?
The canonical SMILES for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole is Brc1cncc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole?
The InChIKey is AIPYRMZNYHLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN3/c36-25-17-24(21-37-22-25)23-18-26(38-32-13-5-1-9-28(32)29-10-2-6-14-33(29)38)20-27(19-23)39-34-15-7-3-11-30(34)31-12-4-8-16-35(31)39/h1-22H.
What are the key properties of 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole?
9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole has a molecular weight of 564.49 g/mol, XLogP of 9.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(5-bromo-3-pyridinyl)-5-carbazol-9-ylphenyl]carbazole is sourced from PubChem (CID 59372072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).