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

C66H39F9N6 — CID 157194443

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole (PubChem CID 157194443) has the molecular formula C66H39F9N6 and a molecular weight of 1087.06 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
• PubChem CID: 157194443
• Molecular Formula: C66H39F9N6
• Molecular Weight: 1087.06 g/mol
• Exact Mass: 1086.31
• IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(C(F)(F)F)c1
• InChI: InChI=1S/C66H39F9N6/c1-38-20-25-45(53(32-38)65(70,71)72)41-22-28-57-51(33-41)47-16-8-10-18-55(47)80(57)59-35-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)21-26-49(59)50-30-31-76-37-60(50)81-56-19-11-9-17-48(56)52-34-42(23-29-58(52)81)46-27-24-44(64(67,68)69)36-54(46)66(73,74)75/h2-37H,1H3
• InChIKey: VZRKBXUKRYQYRJ-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1087.06
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole (CID 157194443) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole.

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

The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccncc2-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(C(F)(F)F)c1.

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

The InChIKey is VZRKBXUKRYQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39F9N6/c1-38-20-25-45(53(32-38)65(70,71)72)41-22-28-57-51(33-41)47-16-8-10-18-55(47)80(57)59-35-43(63-78-61(39-12-4-2-5-13-39)77-62(79-63)40-14-6-3-7-15-40)21-26-49(59)50-30-31-76-37-60(50)81-56-19-11-9-17-48(56)52-34-42(23-29-58(52)81)46-27-24-44(64(67,68)69)36-54(46)66(73,74)75/h2-37H,1H3.

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole has a molecular weight of 1087.06 g/mol, XLogP of 18.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 157194443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).