9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole

C41H27N3 — CID 59629380

IUPAC9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H27N3/c1-5-22-38-32(16-1)33-17-2-6-23-39(33)43(38)30-14-9-12-28(26-30)36-20-11-21-37(42-36)29-13-10-15-31(27-29)44-40-24-7-3-18-34(40)35-19-4-8-25-41(35)44/h1-27H
InChIKeyUFWDOFZYKRDHPB-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole

9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole (PubChem CID 59629380) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
PubChem CID59629380
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H27N3/c1-5-22-38-32(16-1)33-17-2-6-23-39(33)43(38)30-14-9-12-28(26-30)36-20-11-21-37(42-36)29-13-10-15-31(27-29)44-40-24-7-3-18-34(40)35-19-4-8-25-41(35)44/h1-27H
InChIKeyUFWDOFZYKRDHPB-UHFFFAOYSA-N
XLogP10.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole (CID 59629380) is 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole is c1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The InChIKey is UFWDOFZYKRDHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-5-22-38-32(16-1)33-17-2-6-23-39(33)43(38)30-14-9-12-28(26-30)36-20-11-21-37(42-36)29-13-10-15-31(27-29)44-40-24-7-3-18-34(40)35-19-4-8-25-41(35)44/h1-27H.
What are the key properties of 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole has a molecular weight of 561.69 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 59629380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).