2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole

C94H85N5 — CID 118345900

About 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole (PubChem CID 118345900) has the molecular formula C94H85N5 and a molecular weight of 1284.75 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole
• PubChem CID: 118345900
• Molecular Formula: C94H85N5
• Molecular Weight: 1284.75 g/mol
• Exact Mass: 1283.68
• IUPAC Name: 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3cc(C)cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc54)c3)cc21
• InChI: InChI=1S/C94H85N5/c1-5-7-9-11-13-25-54-94(55-26-14-12-10-8-6-2)85-61-72(68-44-42-67(43-45-68)66-40-38-64(3)39-41-66)46-50-79(85)80-51-47-73(62-86(80)94)76-56-65(4)57-78(59-76)99-87-36-23-21-34-81(87)83-52-48-74(63-90(83)99)71-49-53-89-84(60-71)82-35-22-24-37-88(82)98(89)77-33-27-32-75(58-77)93-96-91(69-28-17-15-18-29-69)95-92(97-93)70-30-19-16-20-31-70/h15-24,27-53,56-63H,5-14,25-26,54-55H2,1-4H3
• InChIKey: PUFHIVLELPHSJN-UHFFFAOYSA-N
• XLogP: 26.12
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 23
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.75
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole?

The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole (CID 118345900) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole.

What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole?

The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(-c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3cc(C)cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cc54)c3)cc21.

What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole?

The InChIKey is PUFHIVLELPHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H85N5/c1-5-7-9-11-13-25-54-94(55-26-14-12-10-8-6-2)85-61-72(68-44-42-67(43-45-68)66-40-38-64(3)39-41-66)46-50-79(85)80-51-47-73(62-86(80)94)76-56-65(4)57-78(59-76)99-87-36-23-21-34-81(87)83-52-48-74(63-90(83)99)71-49-53-89-84(60-71)82-35-22-24-37-88(82)98(89)77-33-27-32-75(58-77)93-96-91(69-28-17-15-18-29-69)95-92(97-93)70-30-19-16-20-31-70/h15-24,27-53,56-63H,5-14,25-26,54-55H2,1-4H3.

What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole?

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole has a molecular weight of 1284.75 g/mol, XLogP of 26.12, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole is sourced from PubChem (CID 118345900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).