5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole

C55H38N4 — CID 90226957

About 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole (PubChem CID 90226957) has the molecular formula C55H38N4 and a molecular weight of 754.94 g/mol. Its IUPAC name is 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
• PubChem CID: 90226957
• Molecular Formula: C55H38N4
• Molecular Weight: 754.94 g/mol
• Exact Mass: 754.31
• IUPAC Name: 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21
• InChI: InChI=1S/C55H38N4/c1-55(2)46-24-14-12-22-40(46)43-32-45-44-30-37(38-26-28-42-41-23-13-15-25-50(41)58(52(42)31-38)39-20-10-5-11-21-39)27-29-51(44)59(53(45)33-47(43)55)54-56-48(35-16-6-3-7-17-35)34-49(57-54)36-18-8-4-9-19-36/h3-34H,1-2H3
• InChIKey: REEBUQFTWISUAS-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.94
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole?

The IUPAC name of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole (CID 90226957) is 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole.

What is the SMILES notation for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole?

The canonical SMILES for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3cc21.

What is the InChIKey of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole?

The InChIKey is REEBUQFTWISUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N4/c1-55(2)46-24-14-12-22-40(46)43-32-45-44-30-37(38-26-28-42-41-23-13-15-25-50(41)58(52(42)31-38)39-20-10-5-11-21-39)27-29-51(44)59(53(45)33-47(43)55)54-56-48(35-16-6-3-7-17-35)34-49(57-54)36-18-8-4-9-19-36/h3-34H,1-2H3.

What are the key properties of 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole?

5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole has a molecular weight of 754.94 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,6-diphenylpyrimidin-2-yl)-7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 90226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).