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

C90H62N8 — CID 170133186

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

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 170133186) has the molecular formula C90H62N8 and a molecular weight of 1255.54 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 170133186
• Molecular Formula: C90H62N8
• Molecular Weight: 1255.54 g/mol
• Exact Mass: 1254.51
• IUPAC Name: 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7c7cc9c(cc7n8-c7nc(-c8ccc(-c%10ccccc%10)cc8)nc(-c8ccc(-c%10ccccc%10)cc8)n7)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3cc21
• InChI: InChI=1S/C90H62N8/c1-89(2)74-34-17-14-30-67(74)70-51-72-69-32-16-19-36-78(69)97(80(72)53-76(70)89)65-48-46-62(47-49-65)84-91-83(59-26-12-7-13-27-59)92-87(93-84)64-29-20-28-63(50-64)66-33-21-37-79-82(66)73-52-71-68-31-15-18-35-75(68)90(3,4)77(71)54-81(73)98(79)88-95-85(60-42-38-57(39-43-60)55-22-8-5-9-23-55)94-86(96-88)61-44-40-58(41-45-61)56-24-10-6-11-25-56/h5-54H,1-4H3
• InChIKey: CHTXAUUKWLFYKC-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.54
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 170133186) is 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

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

The canonical SMILES for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7cccc8c7c7cc9c(cc7n8-c7nc(-c8ccc(-c%10ccccc%10)cc8)nc(-c8ccc(-c%10ccccc%10)cc8)n7)C(C)(C)c7ccccc7-9)c6)n5)cc4)c3cc21.

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

The InChIKey is CHTXAUUKWLFYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N8/c1-89(2)74-34-17-14-30-67(74)70-51-72-69-32-16-19-36-78(69)97(80(72)53-76(70)89)65-48-46-62(47-49-65)84-91-83(59-26-12-7-13-27-59)92-87(93-84)64-29-20-28-63(50-64)66-33-21-37-79-82(66)73-52-71-68-31-15-18-35-75(68)90(3,4)77(71)54-81(73)98(79)88-95-85(60-42-38-57(39-43-60)55-22-8-5-9-23-55)94-86(96-88)61-44-40-58(41-45-61)56-24-10-6-11-25-56/h5-54H,1-4H3.

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

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 1255.54 g/mol, XLogP of 22.20, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 170133186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).