5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C66H45N5 — CID 146535003

About 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 146535003) has the molecular formula C66H45N5 and a molecular weight of 908.12 g/mol. Its IUPAC name is 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 146535003
• Molecular Formula: C66H45N5
• Molecular Weight: 908.12 g/mol
• Exact Mass: 907.37
• IUPAC Name: 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc21
• InChI: InChI=1S/C66H45N5/c1-66(2)57-30-16-12-26-51(57)55-40-56-54-29-15-19-33-61(54)71(62(56)41-58(55)66)50-38-48(37-49(39-50)70-59-31-17-13-27-52(59)53-28-14-18-32-60(53)70)65-68-63(44-24-10-5-11-25-44)67-64(69-65)47-35-45(42-20-6-3-7-21-42)34-46(36-47)43-22-8-4-9-23-43/h3-41H,1-2H3
• InChIKey: ZMLOSFPJLZCTFZ-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.12
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 146535003) is 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(-n5c6ccccc6c6ccccc65)c4)c3cc21.

What is the InChIKey of 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is ZMLOSFPJLZCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N5/c1-66(2)57-30-16-12-26-51(57)55-40-56-54-29-15-19-33-61(54)71(62(56)41-58(55)66)50-38-48(37-49(39-50)70-59-31-17-13-27-52(59)53-28-14-18-32-60(53)70)65-68-63(44-24-10-5-11-25-44)67-64(69-65)47-35-45(42-20-6-3-7-21-42)34-46(36-47)43-22-8-4-9-23-43/h3-41H,1-2H3.

What are the key properties of 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole?

5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 908.12 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 146535003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).