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

C54H35N3 — CID 170060036

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

3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 170060036) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
• PubChem CID: 170060036
• Molecular Formula: C54H35N3
• Molecular Weight: 725.90 g/mol
• Exact Mass: 725.28
• IUPAC Name: 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7-n7c8ccccc8c8ccccc87)ccc65)c4)ccc32)cc1
• InChI: InChI=1S/C54H35N3/c1-2-16-39(17-3-1)55-49-25-10-7-22-44(49)46-34-37(29-31-53(46)55)36-15-14-18-40(33-36)56-50-26-11-8-23-45(50)47-35-38(30-32-54(47)56)41-19-4-9-24-48(41)57-51-27-12-5-20-42(51)43-21-6-13-28-52(43)57/h1-35H
• InChIKey: REVLHRYTBSZBDT-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.90
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 170060036) is 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.

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

The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7ccccc7-n7c8ccccc8c8ccccc87)ccc65)c4)ccc32)cc1.

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

The InChIKey is REVLHRYTBSZBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-2-16-39(17-3-1)55-49-25-10-7-22-44(49)46-34-37(29-31-53(46)55)36-15-14-18-40(33-36)56-50-26-11-8-23-45(50)47-35-38(30-32-54(47)56)41-19-4-9-24-48(41)57-51-27-12-5-20-42(51)43-21-6-13-28-52(43)57/h1-35H.

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

3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 725.90 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 170060036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).