3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole

C35H23N3 — CID 126749641

IUPAC3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1
InChIInChI=1S/C35H23N3/c1-4-15-32-28(12-1)29-13-2-5-16-33(29)38(32)27-18-19-35-31(22-27)30-14-3-6-17-34(30)37(35)26-11-7-9-24(21-26)25-10-8-20-36-23-25/h1-23H
InChIKeyVZEPGRCOPIKXQO-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.94
Rot. Bonds3

About 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole

3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole (PubChem CID 126749641) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
PubChem CID126749641
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
SMILESc1cncc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1
InChIInChI=1S/C35H23N3/c1-4-15-32-28(12-1)29-13-2-5-16-33(29)38(32)27-18-19-35-31(22-27)30-14-3-6-17-34(30)37(35)26-11-7-9-24(21-26)25-10-8-20-36-23-25/h1-23H
InChIKeyVZEPGRCOPIKXQO-UHFFFAOYSA-N
XLogP8.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole (CID 126749641) is 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole is c1cncc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)c1.
What is the InChIKey of 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole?
The InChIKey is VZEPGRCOPIKXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-4-15-32-28(12-1)29-13-2-5-16-33(29)38(32)27-18-19-35-31(22-27)30-14-3-6-17-34(30)37(35)26-11-7-9-24(21-26)25-10-8-20-36-23-25/h1-23H.
What are the key properties of 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole?
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole has a molecular weight of 485.59 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole is sourced from PubChem (CID 126749641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).