3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

C104H68N8 — CID 158454964

About 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (PubChem CID 158454964) has the molecular formula C104H68N8 and a molecular weight of 1429.74 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
• PubChem CID: 158454964
• Molecular Formula: C104H68N8
• Molecular Weight: 1429.74 g/mol
• Exact Mass: 1428.56
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccccc3-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2cnc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc2)cc1
• InChI: InChI=1S/2C52H34N4/c1-3-15-35(16-4-1)40-19-7-9-21-42(40)43-22-10-8-20-41(43)38-33-53-52(54-34-38)56-49-26-14-12-24-45(49)47-32-37(28-30-51(47)56)36-27-29-50-46(31-36)44-23-11-13-25-48(44)55(50)39-17-5-2-6-18-39;1-3-14-35(15-4-1)36-16-13-17-39(30-36)42-20-7-8-21-43(42)40-33-53-52(54-34-40)56-49-25-12-10-23-45(49)47-32-38(27-29-51(47)56)37-26-28-50-46(31-37)44-22-9-11-24-48(44)55(50)41-18-5-2-6-19-41/h2*1-34H
• InChIKey: HELORDKGYQKRNB-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1429.74
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole (CID 158454964) is 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is c1ccc(-c2cccc(-c3ccccc3-c3cnc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3)c2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2cnc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc2)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

The InChIKey is HELORDKGYQKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4/c1-3-15-35(16-4-1)40-19-7-9-21-42(40)43-22-10-8-20-41(43)38-33-53-52(54-34-38)56-49-26-14-12-24-45(49)47-32-37(28-30-51(47)56)36-27-29-50-46(31-36)44-23-11-13-25-48(44)55(50)39-17-5-2-6-18-39;1-3-14-35(15-4-1)36-16-13-17-39(30-36)42-20-7-8-21-43(42)40-33-53-52(54-34-40)56-49-25-12-10-23-45(49)47-32-38(27-29-51(47)56)37-26-28-50-46(31-37)44-22-9-11-24-48(44)55(50)41-18-5-2-6-19-41/h2*1-34H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole has a molecular weight of 1429.74 g/mol, XLogP of 26.68, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[5-[2-(2-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[5-[2-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 158454964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).