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

C41H27N3 — CID 67574332

IUPAC9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H27N3/c1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44/h1-27H
InChIKeyVDHOGVHFPFGPIP-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.61
Rot. Bonds4

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

9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole (PubChem CID 67574332) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
PubChem CID67574332
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole
SMILESc1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C41H27N3/c1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44/h1-27H
InChIKeyVDHOGVHFPFGPIP-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-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole (CID 67574332) is 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole is c1cc(-c2cncc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
The InChIKey is VDHOGVHFPFGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-5-19-38-34(15-1)35-16-2-6-20-39(35)43(38)32-13-9-11-28(24-32)30-23-31(27-42-26-30)29-12-10-14-33(25-29)44-40-21-7-3-17-36(40)37-18-4-8-22-41(37)44/h1-27H.
What are the key properties of 9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole?
9-[3-[5-(3-carbazol-9-ylphenyl)-3-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-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 67574332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).