3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole

C67H37F12N5 — CID 155233083

About 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole

3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole (PubChem CID 155233083) has the molecular formula C67H37F12N5 and a molecular weight of 1140.04 g/mol. Its IUPAC name is 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
• PubChem CID: 155233083
• Molecular Formula: C67H37F12N5
• Molecular Weight: 1140.04 g/mol
• Exact Mass: 1139.29
• IUPAC Name: 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole
• SMILES: FC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C67H37F12N5/c68-64(69,70)45-29-43(30-46(36-45)65(71,72)73)40-23-26-56-52(33-40)53-34-41(44-31-47(66(74,75)76)37-48(32-44)67(77,78)79)24-27-57(53)84(56)58-28-25-42(50-20-12-22-59-60(50)51-19-10-11-21-55(51)83(59)49-17-8-3-9-18-49)35-54(58)63-81-61(38-13-4-1-5-14-38)80-62(82-63)39-15-6-2-7-16-39/h1-37H
• InChIKey: DPGQRRKUIWPMMD-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1140.04
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole (CID 155233083) is 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole.

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

The canonical SMILES for 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.

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

The InChIKey is DPGQRRKUIWPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H37F12N5/c68-64(69,70)45-29-43(30-46(36-45)65(71,72)73)40-23-26-56-52(33-40)53-34-41(44-31-47(66(74,75)76)37-48(32-44)67(77,78)79)24-27-57(53)84(56)58-28-25-42(50-20-12-22-59-60(50)51-19-10-11-21-55(51)83(59)49-17-8-3-9-18-49)35-54(58)63-81-61(38-13-4-1-5-14-38)80-62(82-63)39-15-6-2-7-16-39/h1-37H.

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

3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole has a molecular weight of 1140.04 g/mol, XLogP of 20.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole is sourced from PubChem (CID 155233083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).