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

C67H37F12N5 — CID 155232340

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

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole (PubChem CID 155232340) has the molecular formula C67H37F12N5 and a molecular weight of 1140.04 g/mol. Its IUPAC name is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
• PubChem CID: 155232340
• Molecular Formula: C67H37F12N5
• Molecular Weight: 1140.04 g/mol
• Exact Mass: 1139.29
• IUPAC Name: 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
• SMILES: FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1
• InChI: InChI=1S/C67H37F12N5/c68-64(69,70)43-26-28-46(54(36-43)66(74,75)76)40-23-30-57-51(33-40)52-34-41(47-29-27-44(65(71,72)73)37-55(47)67(77,78)79)24-31-58(52)84(57)59-32-25-42(48-20-12-21-50-49-19-10-11-22-56(49)83(60(48)50)45-17-8-3-9-18-45)35-53(59)63-81-61(38-13-4-1-5-14-38)80-62(82-63)39-15-6-2-7-16-39/h1-37H
• InChIKey: SUHXTLYPURUUPG-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[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole?

The IUPAC name of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole (CID 155232340) is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole.

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

The canonical SMILES for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2ccc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C(F)(F)F)c1.

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

The InChIKey is SUHXTLYPURUUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H37F12N5/c68-64(69,70)43-26-28-46(54(36-43)66(74,75)76)40-23-30-57-51(33-40)52-34-41(47-29-27-44(65(71,72)73)37-55(47)67(77,78)79)24-31-58(52)84(57)59-32-25-42(48-20-12-21-50-49-19-10-11-22-56(49)83(60(48)50)45-17-8-3-9-18-45)35-53(59)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[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole?

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-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[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 155232340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).