1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole

C126H113N11 — CID 158954992

About 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole

1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole (PubChem CID 158954992) has the molecular formula C126H113N11 and a molecular weight of 1781.37 g/mol. Its IUPAC name is 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole.

Molecular Properties

• Compound Name: 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole
• PubChem CID: 158954992
• Molecular Formula: C126H113N11
• Molecular Weight: 1781.37 g/mol
• Exact Mass: 1779.92
• IUPAC Name: 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c(cc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3ccccc3n(-c3ccccc3)c2c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C73H68N6.C53H45N5/c1-70(2,3)47-32-36-59-53(40-47)54-41-48(71(4,5)6)33-37-60(54)78(59)63-44-57-52-30-22-23-31-58(52)77(51-28-20-15-21-29-51)65(57)66(64(63)69-75-67(45-24-16-13-17-25-45)74-68(76-69)46-26-18-14-19-27-46)79-61-38-34-49(72(7,8)9)42-55(61)56-43-50(73(10,11)12)35-39-62(56)79;1-52(2,3)36-26-28-45-40(30-36)41-31-37(53(4,5)6)27-29-46(41)58(45)48-33-47-42(39-24-16-17-25-44(39)57(47)38-22-14-9-15-23-38)32-43(48)51-55-49(34-18-10-7-11-19-34)54-50(56-51)35-20-12-8-13-21-35/h13-44H,1-12H3;7-33H,1-6H3
• InChIKey: JLWWOIMZTUCLAL-UHFFFAOYSA-N
• XLogP: 33.02
• TPSA: 101.99 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1781.37
LogP ≤ 5	33.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole?

The IUPAC name of 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole (CID 158954992) is 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole.

What is the SMILES notation for 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole?

The canonical SMILES for 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c(cc1-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3ccccc3n(-c3ccccc3)c2c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole?

The InChIKey is JLWWOIMZTUCLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H68N6.C53H45N5/c1-70(2,3)47-32-36-59-53(40-47)54-41-48(71(4,5)6)33-37-60(54)78(59)63-44-57-52-30-22-23-31-58(52)77(51-28-20-15-21-29-51)65(57)66(64(63)69-75-67(45-24-16-13-17-25-45)74-68(76-69)46-26-18-14-19-27-46)79-61-38-34-49(72(7,8)9)42-55(61)56-43-50(73(10,11)12)35-39-62(56)79;1-52(2,3)36-26-28-45-40(30-36)41-31-37(53(4,5)6)27-29-46(41)58(45)48-33-47-42(39-24-16-17-25-44(39)57(47)38-22-14-9-15-23-38)32-43(48)51-55-49(34-18-10-7-11-19-34)54-50(56-51)35-20-12-8-13-21-35/h13-44H,1-12H3;7-33H,1-6H3.

What are the key properties of 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole?

1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole has a molecular weight of 1781.37 g/mol, XLogP of 33.02, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(3,6-ditert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;3,6-ditert-butyl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-2-yl]carbazole is sourced from PubChem (CID 158954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).