3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole

C108H72N4 — CID 161093250

About 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 161093250) has the molecular formula C108H72N4 and a molecular weight of 1425.79 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
• PubChem CID: 161093250
• Molecular Formula: C108H72N4
• Molecular Weight: 1425.79 g/mol
• Exact Mass: 1424.58
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc2)cc1
• InChI: InChI=1S/2C54H36N2/c1-3-13-37(14-4-1)38-23-25-39(26-24-38)40-27-29-41(30-28-40)45-17-7-10-20-50(45)56-52-22-12-9-19-47(52)49-36-43(32-34-54(49)56)42-31-33-53-48(35-42)46-18-8-11-21-51(46)55(53)44-15-5-2-6-16-44;1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-28-41(29-27-40)42-14-11-17-46(34-42)56-52-21-10-8-19-48(52)50-36-44(31-33-54(50)56)43-30-32-53-49(35-43)47-18-7-9-20-51(47)55(53)45-15-5-2-6-16-45/h2*1-36H
• InChIKey: UHLNHARZDONXSS-UHFFFAOYSA-N
• XLogP: 29.10
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.79
LogP ≤ 5	29.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole (CID 161093250) is 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4ccccc4-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)cc2)cc1.

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

The InChIKey is UHLNHARZDONXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H36N2/c1-3-13-37(14-4-1)38-23-25-39(26-24-38)40-27-29-41(30-28-40)45-17-7-10-20-50(45)56-52-22-12-9-19-47(52)49-36-43(32-34-54(49)56)42-31-33-53-48(35-42)46-18-8-11-21-51(46)55(53)44-15-5-2-6-16-44;1-3-12-37(13-4-1)38-22-24-39(25-23-38)40-26-28-41(29-27-40)42-14-11-17-46(34-42)56-52-21-10-8-19-48(52)50-36-44(31-33-54(50)56)43-30-32-53-49(35-43)47-18-7-9-20-51(47)55(53)45-15-5-2-6-16-45/h2*1-36H.

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

3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole has a molecular weight of 1425.79 g/mol, XLogP of 29.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 161093250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).