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

C87H70F3N5 — CID 138554511

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

9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 138554511) has the molecular formula C87H70F3N5 and a molecular weight of 1242.55 g/mol. Its IUPAC name is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole
• PubChem CID: 138554511
• Molecular Formula: C87H70F3N5
• Molecular Weight: 1242.55 g/mol
• Exact Mass: 1241.56
• IUPAC Name: 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole
• SMILES: Cc1ccc(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C(F)(F)F)ccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
• InChI: InChI=1S/C87H70F3N5/c1-49-22-29-68(53(5)36-49)62-23-31-78-71(43-62)72-44-65(83-58(10)41-52(4)42-59(83)11)26-34-79(72)95(78)80-48-67(87(88,89)90)28-30-69(80)70-47-66(86-92-84(60-18-14-12-15-19-60)91-85(93-86)61-20-16-13-17-21-61)27-35-75(70)94-76-32-24-63(81-54(6)37-50(2)38-55(81)7)45-73(76)74-46-64(25-33-77(74)94)82-56(8)39-51(3)40-57(82)9/h12-48H,1-11H3
• InChIKey: UPUWGURKIFTSEH-UHFFFAOYSA-N
• XLogP: 23.81
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1242.55
LogP ≤ 5	23.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole (CID 138554511) is 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole.

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

The canonical SMILES for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2cc(C(F)(F)F)ccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.

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

The InChIKey is UPUWGURKIFTSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H70F3N5/c1-49-22-29-68(53(5)36-49)62-23-31-78-71(43-62)72-44-65(83-58(10)41-52(4)42-59(83)11)26-34-79(72)95(78)80-48-67(87(88,89)90)28-30-69(80)70-47-66(86-92-84(60-18-14-12-15-19-60)91-85(93-86)61-20-16-13-17-21-61)27-35-75(70)94-76-32-24-63(81-54(6)37-50(2)38-55(81)7)45-73(76)74-46-64(25-33-77(74)94)82-56(8)39-51(3)40-57(82)9/h12-48H,1-11H3.

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

9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1242.55 g/mol, XLogP of 23.81, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 138554511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).