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

C60H41N5 — CID 126592342

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

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126592342) has the molecular formula C60H41N5 and a molecular weight of 832.02 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 126592342
• Molecular Formula: C60H41N5
• Molecular Weight: 832.02 g/mol
• Exact Mass: 831.34
• IUPAC Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3cc21
• InChI: InChI=1S/C60H41N5/c1-60(2)50-29-15-12-25-45(50)48-36-49-46-26-13-16-30-52(46)65(55(49)37-51(48)60)43-34-40(44-28-18-32-54-56(44)47-27-14-17-31-53(47)64(54)42-23-10-5-11-24-42)33-41(35-43)59-62-57(38-19-6-3-7-20-38)61-58(63-59)39-21-8-4-9-22-39/h3-37H,1-2H3
• InChIKey: VIWQZWROHDRRMH-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	832.02
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126592342) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

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

The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3cc21.

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

The InChIKey is VIWQZWROHDRRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N5/c1-60(2)50-29-15-12-25-45(50)48-36-49-46-26-13-16-30-52(46)65(55(49)37-51(48)60)43-34-40(44-28-18-32-54-56(44)47-27-14-17-31-53(47)64(54)42-23-10-5-11-24-42)33-41(35-43)59-62-57(38-19-6-3-7-20-38)61-58(63-59)39-21-8-4-9-22-39/h3-37H,1-2H3.

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

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 832.02 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(9-phenylcarbazol-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126592342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).