3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole

C142H119F5N6 — CID 161077338

About 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole

3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole (PubChem CID 161077338) has the molecular formula C142H119F5N6 and a molecular weight of 2004.55 g/mol. Its IUPAC name is 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole
• PubChem CID: 161077338
• Molecular Formula: C142H119F5N6
• Molecular Weight: 2004.55 g/mol
• Exact Mass: 2002.94
• IUPAC Name: 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole
• SMILES: CC(C)(C)Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)c1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1cc(CC(C)(C)C)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(CC(C)(C)C)cc4c4cc(-c5ccccc5C)ccc43)c2)c1
• InChI: InChI=1S/C60H56N2.C41H31F3N2.C41H32F2N2/c1-39-15-9-11-21-49(39)45-25-29-57-53(35-45)51-31-41(37-59(3,4)5)23-27-55(51)61(57)47-19-13-17-43(33-47)44-18-14-20-48(34-44)62-56-28-24-42(38-60(6,7)8)32-52(56)54-36-46(26-30-58(54)62)50-22-12-10-16-40(50)2;1-40(2,3)28-18-20-38-34(24-28)32-14-4-6-16-36(32)45(38)30-12-8-10-26(22-30)27-11-9-13-31(23-27)46-37-17-7-5-15-33(37)35-25-29(41(42,43)44)19-21-39(35)46;1-41(2,3)25-26-14-17-38-34(20-26)33-12-4-5-13-37(33)44(38)31-10-6-8-27(21-31)28-9-7-11-32(22-28)45-39-18-15-29(42)23-35(39)36-24-30(43)16-19-40(36)45/h9-36H,37-38H2,1-8H3;4-25H,1-3H3;4-24H,25H2,1-3H3
• InChIKey: UFLJDHQNTJORBO-UHFFFAOYSA-N
• XLogP: 39.95
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2004.55
LogP ≤ 5	39.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole?

The IUPAC name of 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole (CID 161077338) is 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole.

What is the SMILES notation for 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole?

The canonical SMILES for 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole is CC(C)(C)Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccc(F)cc4c4cc(F)ccc43)c2)c1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c2)c1.Cc1ccccc1-c1ccc2c(c1)c1cc(CC(C)(C)C)ccc1n2-c1cccc(-c2cccc(-n3c4ccc(CC(C)(C)C)cc4c4cc(-c5ccccc5C)ccc43)c2)c1.

What is the InChIKey of 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole?

The InChIKey is UFLJDHQNTJORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N2.C41H31F3N2.C41H32F2N2/c1-39-15-9-11-21-49(39)45-25-29-57-53(35-45)51-31-41(37-59(3,4)5)23-27-55(51)61(57)47-19-13-17-43(33-47)44-18-14-20-48(34-44)62-56-28-24-42(38-60(6,7)8)32-52(56)54-36-46(26-30-58(54)62)50-22-12-10-16-40(50)2;1-40(2,3)28-18-20-38-34(24-28)32-14-4-6-16-36(32)45(38)30-12-8-10-26(22-30)27-11-9-13-31(23-27)46-37-17-7-5-15-33(37)35-25-29(41(42,43)44)19-21-39(35)46;1-41(2,3)25-26-14-17-38-34(20-26)33-12-4-5-13-37(33)44(38)31-10-6-8-27(21-31)28-9-7-11-32(22-28)45-39-18-15-29(42)23-35(39)36-24-30(43)16-19-40(36)45/h9-36H,37-38H2,1-8H3;4-25H,1-3H3;4-24H,25H2,1-3H3.

What are the key properties of 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole?

3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole has a molecular weight of 2004.55 g/mol, XLogP of 39.95, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-9-[3-[3-[3-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]carbazole;9-[3-[3-[3-(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-difluorocarbazole;3-(2,2-dimethylpropyl)-9-[3-[3-[3-(2,2-dimethylpropyl)-6-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-6-(2-methylphenyl)carbazole is sourced from PubChem (CID 161077338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).