3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole

C132H96N8 — CID 159534786

About 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole

3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (PubChem CID 159534786) has the molecular formula C132H96N8 and a molecular weight of 1794.28 g/mol. Its IUPAC name is 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
• PubChem CID: 159534786
• Molecular Formula: C132H96N8
• Molecular Weight: 1794.28 g/mol
• Exact Mass: 1792.78
• IUPAC Name: 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7nc6-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C68H44N4.C64H52N4/c1-3-13-45(14-4-1)47-31-37-55(38-32-47)71-63-21-11-7-17-57(63)59-43-53(35-41-65(59)71)49-23-27-51(28-24-49)67-68(70-62-20-10-9-19-61(62)69-67)52-29-25-50(26-30-52)54-36-42-66-60(44-54)58-18-8-12-22-64(58)72(66)56-39-33-48(34-40-56)46-15-5-2-6-16-46;1-63(2,3)47-31-35-59-53(39-47)51-37-45(29-33-57(51)67(59)49-15-9-7-10-16-49)41-21-25-43(26-22-41)61-62(66-56-20-14-13-19-55(56)65-61)44-27-23-42(24-28-44)46-30-34-58-52(38-46)54-40-48(64(4,5)6)32-36-60(54)68(58)50-17-11-8-12-18-50/h1-44H;7-40H,1-6H3
• InChIKey: MDLLLKSRYLIVSN-UHFFFAOYSA-N
• XLogP: 34.91
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1794.28
LogP ≤ 5	34.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?

The IUPAC name of 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole (CID 159534786) is 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole.

What is the SMILES notation for 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?

The canonical SMILES for 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4nc5ccccc5nc4-c4ccc(-c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5ccccc5)cc4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6nc7ccccc7nc6-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8ccccc8)cc7)cc6)cc5)ccc43)cc2)cc1.

What is the InChIKey of 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?

The InChIKey is MDLLLKSRYLIVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4.C64H52N4/c1-3-13-45(14-4-1)47-31-37-55(38-32-47)71-63-21-11-7-17-57(63)59-43-53(35-41-65(59)71)49-23-27-51(28-24-49)67-68(70-62-20-10-9-19-61(62)69-67)52-29-25-50(26-30-52)54-36-42-66-60(44-54)58-18-8-12-22-64(58)72(66)56-39-33-48(34-40-56)46-15-5-2-6-16-46;1-63(2,3)47-31-35-59-53(39-47)51-37-45(29-33-57(51)67(59)49-15-9-7-10-16-49)41-21-25-43(26-22-41)61-62(66-56-20-14-13-19-55(56)65-61)44-27-23-42(24-28-44)46-30-34-58-52(38-46)54-40-48(64(4,5)6)32-36-60(54)68(58)50-17-11-8-12-18-50/h1-44H;7-40H,1-6H3.

What are the key properties of 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole?

3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole has a molecular weight of 1794.28 g/mol, XLogP of 34.91, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-[4-[3-[4-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]quinoxalin-2-yl]phenyl]-9-phenylcarbazole;9-(4-phenylphenyl)-3-[4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole is sourced from PubChem (CID 159534786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).