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

C67H40F9N5 — CID 161015252

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole (PubChem CID 161015252) has the molecular formula C67H40F9N5 and a molecular weight of 1086.07 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
• PubChem CID: 161015252
• Molecular Formula: C67H40F9N5
• Molecular Weight: 1086.07 g/mol
• Exact Mass: 1085.31
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
• SMILES: Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21
• InChI: InChI=1S/C67H40F9N5/c1-39-34-45(65(68,69)70)27-29-47(39)42-24-31-59-52(35-42)49-18-8-11-21-56(49)80(59)57-22-12-10-20-51(57)54-37-44(64-78-62(40-14-4-2-5-15-40)77-63(79-64)41-16-6-3-7-17-41)26-33-61(54)81-58-23-13-9-19-50(58)53-36-43(25-32-60(53)81)48-30-28-46(66(71,72)73)38-55(48)67(74,75)76/h2-38H,1H3
• InChIKey: MUFUCXMXUCMMSS-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1086.07
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole (CID 161015252) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole is Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21.

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

The InChIKey is MUFUCXMXUCMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40F9N5/c1-39-34-45(65(68,69)70)27-29-47(39)42-24-31-59-52(35-42)49-18-8-11-21-56(49)80(59)57-22-12-10-20-51(57)54-37-44(64-78-62(40-14-4-2-5-15-40)77-63(79-64)41-16-6-3-7-17-41)26-33-61(54)81-58-23-13-9-19-50(58)53-36-43(25-32-60(53)81)48-30-28-46(66(71,72)73)38-55(48)67(74,75)76/h2-38H,1H3.

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole has a molecular weight of 1086.07 g/mol, XLogP of 19.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 161015252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).