3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole

C48H29N5 — CID 144875938

About 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole

3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole (PubChem CID 144875938) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole.

Molecular Properties

• Compound Name: 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole
• PubChem CID: 144875938
• Molecular Formula: C48H29N5
• Molecular Weight: 675.80 g/mol
• Exact Mass: 675.24
• IUPAC Name: 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole
• SMILES: C1=C=C(n2c3ccccc3c3cc(-c4cccc(-c5cccn6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc56)c4)ccc32)C=CC=1
• InChI: InChI=1S/C48H29N5/c1-2-14-36(15-3-1)52-45-22-9-6-18-41(45)42-31-34(25-28-46(42)52)33-12-10-13-35(30-33)38-19-11-29-51-48(38)49-47(50-51)32-23-26-37(27-24-32)53-43-20-7-4-16-39(43)40-17-5-8-21-44(40)53/h1-2,4-14,16-31H
• InChIKey: PFXNDHRZHSESQA-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 40.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.80
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole?

The IUPAC name of 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole (CID 144875938) is 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole.

What is the SMILES notation for 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole?

The canonical SMILES for 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole is C1=C=C(n2c3ccccc3c3cc(-c4cccc(-c5cccn6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc56)c4)ccc32)C=CC=1.

What is the InChIKey of 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole?

The InChIKey is PFXNDHRZHSESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c1-2-14-36(15-3-1)52-45-22-9-6-18-41(45)42-31-34(25-28-46(42)52)33-12-10-13-35(30-33)38-19-11-29-51-48(38)49-47(50-51)32-23-26-37(27-24-32)53-43-20-7-4-16-39(43)40-17-5-8-21-44(40)53/h1-2,4-14,16-31H.

What are the key properties of 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole?

3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole has a molecular weight of 675.80 g/mol, XLogP of 11.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(4-carbazol-9-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]-9-cyclohexa-1,2,3,5-tetraen-1-ylcarbazole is sourced from PubChem (CID 144875938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).