2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole

C58H39N3 — CID 135144091

About 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole

2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 135144091) has the molecular formula C58H39N3 and a molecular weight of 777.97 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
• PubChem CID: 135144091
• Molecular Formula: C58H39N3
• Molecular Weight: 777.97 g/mol
• Exact Mass: 777.31
• IUPAC Name: 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc65)c4)n3)cc2)cc1
• InChI: InChI=1S/C58H39N3/c1-5-16-40(17-6-1)43-28-30-45(31-29-43)58-59-54(44-22-11-4-12-23-44)39-55(60-58)47-24-15-25-51(37-47)61-56-27-14-13-26-52(56)53-33-32-46(38-57(53)61)50-35-48(41-18-7-2-8-19-41)34-49(36-50)42-20-9-3-10-21-42/h1-39H
• InChIKey: MFQRJPOLMUSIHW-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.97
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The IUPAC name of 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 135144091) is 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The canonical SMILES for 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc65)c4)n3)cc2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

The InChIKey is MFQRJPOLMUSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3/c1-5-16-40(17-6-1)43-28-30-45(31-29-43)58-59-54(44-22-11-4-12-23-44)39-55(60-58)47-24-15-25-51(37-47)61-56-27-14-13-26-52(56)53-33-32-46(38-57(53)61)50-35-48(41-18-7-2-8-19-41)34-49(36-50)42-20-9-3-10-21-42/h1-39H.

What are the key properties of 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole?

2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 777.97 g/mol, XLogP of 15.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 135144091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).