3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole

C60H39N3 — CID 170060135

About 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole

3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole (PubChem CID 170060135) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
• PubChem CID: 170060135
• Molecular Formula: C60H39N3
• Molecular Weight: 801.99 g/mol
• Exact Mass: 801.31
• IUPAC Name: 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6cc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)ccc65)ccc43)cc2)cc1
• InChI: InChI=1S/C60H39N3/c1-2-15-40(16-3-1)41-29-33-45(34-30-41)61-57-27-12-7-22-50(57)53-39-44(32-36-59(53)61)47-19-4-9-24-54(47)63-58-28-13-8-23-51(58)52-38-43(31-35-60(52)63)42-17-14-18-46(37-42)62-55-25-10-5-20-48(55)49-21-6-11-26-56(49)62/h1-39H
• InChIKey: HAKGSJHLZBTIQC-UHFFFAOYSA-N
• XLogP: 15.98
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.99
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole?

The IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole (CID 170060135) is 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole.

What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole?

The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccccc5-n5c6ccccc6c6cc(-c7cccc(-n8c9ccccc9c9ccccc98)c7)ccc65)ccc43)cc2)cc1.

What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole?

The InChIKey is HAKGSJHLZBTIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-2-15-40(16-3-1)41-29-33-45(34-30-41)61-57-27-12-7-22-50(57)53-39-44(32-36-59(53)61)47-19-4-9-24-54(47)63-58-28-13-8-23-51(58)52-38-43(31-35-60(52)63)42-17-14-18-46(37-42)62-55-25-10-5-20-48(55)49-21-6-11-26-56(49)62/h1-39H.

What are the key properties of 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole?

3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 170060135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).