9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole

C41H27N3 — CID 59413292

IUPAC9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)cc1
InChIInChI=1S/C41H27N3/c1-5-13-38-33(9-1)34-10-2-6-14-39(34)43(38)31-22-17-28(18-23-31)30-21-26-37(42-27-30)29-19-24-32(25-20-29)44-40-15-7-3-11-35(40)36-12-4-8-16-41(36)44/h1-27H
InChIKeyOFBIWCOKVPBIQJ-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

About 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole

9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole (PubChem CID 59413292) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
PubChem CID59413292
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)cc1
InChIInChI=1S/C41H27N3/c1-5-13-38-33(9-1)34-10-2-6-14-39(34)43(38)31-22-17-28(18-23-31)30-21-26-37(42-27-30)29-19-24-32(25-20-29)44-40-15-7-3-11-35(40)36-12-4-8-16-41(36)44/h1-27H
InChIKeyOFBIWCOKVPBIQJ-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-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole (CID 59413292) is 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2)cc1.
What is the InChIKey of 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
The InChIKey is OFBIWCOKVPBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-5-13-38-33(9-1)34-10-2-6-14-39(34)43(38)31-22-17-28(18-23-31)30-21-26-37(42-27-30)29-19-24-32(25-20-29)44-40-15-7-3-11-35(40)36-12-4-8-16-41(36)44/h1-27H.
What are the key properties of 9-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole?
9-[4-[5-(4-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-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 59413292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).