9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C114H78N10 — CID 89338237

About 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 89338237) has the molecular formula C114H78N10 and a molecular weight of 1587.95 g/mol. Its IUPAC name is 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 89338237
• Molecular Formula: C114H78N10
• Molecular Weight: 1587.95 g/mol
• Exact Mass: 1586.64
• IUPAC Name: 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3nc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc21
• InChI: InChI=1S/C114H78N10/c1-113(2)95-65-75(48-60-83(95)85-62-50-77(67-97(85)113)111-117-107(69-40-52-79(53-41-69)121-99-32-13-5-24-87(99)88-25-6-14-33-100(88)121)115-108(118-111)70-42-54-80(55-43-70)122-101-34-15-7-26-89(101)90-27-8-16-35-102(90)122)73-22-21-23-74(64-73)76-49-61-84-86-63-51-78(68-98(86)114(3,4)96(84)66-76)112-119-109(71-44-56-81(57-45-71)123-103-36-17-9-28-91(103)92-29-10-18-37-104(92)123)116-110(120-112)72-46-58-82(59-47-72)124-105-38-19-11-30-93(105)94-31-12-20-39-106(94)124/h5-11,13-30,32-68H,12,31H2,1-4H3
• InChIKey: QHIPHFSVGRILJN-UHFFFAOYSA-N
• XLogP: 28.20
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1587.95
LogP ≤ 5	28.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 89338237) is 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3nc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)n3)cc21.

What is the InChIKey of 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is QHIPHFSVGRILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H78N10/c1-113(2)95-65-75(48-60-83(95)85-62-50-77(67-97(85)113)111-117-107(69-40-52-79(53-41-69)121-99-32-13-5-24-87(99)88-25-6-14-33-100(88)121)115-108(118-111)70-42-54-80(55-43-70)122-101-34-15-7-26-89(101)90-27-8-16-35-102(90)122)73-22-21-23-74(64-73)76-49-61-84-86-63-51-78(68-98(86)114(3,4)96(84)66-76)112-119-109(71-44-56-81(57-45-71)123-103-36-17-9-28-91(103)92-29-10-18-37-104(92)123)116-110(120-112)72-46-58-82(59-47-72)124-105-38-19-11-30-93(105)94-31-12-20-39-106(94)124/h5-11,13-30,32-68H,12,31H2,1-4H3.

What are the key properties of 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?

9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 1587.95 g/mol, XLogP of 28.20, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 89338237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).