3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C117H75N7 — CID 134237073

About 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 134237073) has the molecular formula C117H75N7 and a molecular weight of 1578.94 g/mol. Its IUPAC name is 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 134237073
• Molecular Formula: C117H75N7
• Molecular Weight: 1578.94 g/mol
• Exact Mass: 1577.61
• IUPAC Name: 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)c3)c2)cc1
• InChI: InChI=1S/C117H75N7/c1-7-29-76(30-8-1)88-63-89(77-31-9-2-10-32-77)66-92(65-88)80-37-27-39-86(61-80)115-118-116(87-40-28-38-81(62-87)93-67-90(78-33-11-3-12-34-78)64-91(68-93)79-35-13-4-14-36-79)120-117(119-115)94-69-97(123-109-51-25-21-47-101(109)105-73-84(55-59-113(105)123)82-53-57-111-103(71-82)99-45-19-23-49-107(99)121(111)95-41-15-5-16-42-95)75-98(70-94)124-110-52-26-22-48-102(110)106-74-85(56-60-114(106)124)83-54-58-112-104(72-83)100-46-20-24-50-108(100)122(112)96-43-17-6-18-44-96/h1-75H
• InChIKey: JHVIIZRPLZVGMF-UHFFFAOYSA-N
• XLogP: 30.60
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.94
LogP ≤ 5	30.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 134237073) is 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5)n4)c3)c2)cc1.

What is the InChIKey of 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is JHVIIZRPLZVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H75N7/c1-7-29-76(30-8-1)88-63-89(77-31-9-2-10-32-77)66-92(65-88)80-37-27-39-86(61-80)115-118-116(87-40-28-38-81(62-87)93-67-90(78-33-11-3-12-34-78)64-91(68-93)79-35-13-4-14-36-79)120-117(119-115)94-69-97(123-109-51-25-21-47-101(109)105-73-84(55-59-113(105)123)82-53-57-111-103(71-82)99-45-19-23-49-107(99)121(111)95-41-15-5-16-42-95)75-98(70-94)124-110-52-26-22-48-102(110)106-74-85(56-60-114(106)124)83-54-58-112-104(72-83)100-46-20-24-50-108(100)122(112)96-43-17-6-18-44-96/h1-75H.

What are the key properties of 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?

3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1578.94 g/mol, XLogP of 30.60, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 134237073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).