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

C78H60F3N5 — CID 138728932

IUPAC9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1
InChIInChI=1S/C78H60F3N5/c1-45-19-27-60(49(5)35-45)55-23-31-68-64(39-55)65-40-56(61-28-20-46(2)36-50(61)6)24-32-69(65)85(68)72-43-59(77-83-75(53-15-11-9-12-16-53)82-76(84-77)54-17-13-10-14-18-54)44-73(74(72)78(79,80)81)86-70-33-25-57(62-29-21-47(3)37-51(62)7)41-66(70)67-42-58(26-34-71(67)86)63-30-22-48(4)38-52(63)8/h9-44H,1-8H3
InChIKeyDHEBEGLLIZZKQU-UHFFFAOYSA-N
MW1124.37 g/mol
LogP21.22
Rot. Bonds9

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

9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (PubChem CID 138728932) has the molecular formula C78H60F3N5 and a molecular weight of 1124.37 g/mol. Its IUPAC name is 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
PubChem CID138728932
Molecular FormulaC78H60F3N5
Molecular Weight1124.37 g/mol
Exact Mass1123.48
IUPAC Name9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1
InChIInChI=1S/C78H60F3N5/c1-45-19-27-60(49(5)35-45)55-23-31-68-64(39-55)65-40-56(61-28-20-46(2)36-50(61)6)24-32-69(65)85(68)72-43-59(77-83-75(53-15-11-9-12-16-53)82-76(84-77)54-17-13-10-14-18-54)44-73(74(72)78(79,80)81)86-70-33-25-57(62-29-21-47(3)37-51(62)7)41-66(70)67-42-58(26-34-71(67)86)63-30-22-48(4)38-52(63)8/h9-44H,1-8H3
InChIKeyDHEBEGLLIZZKQU-UHFFFAOYSA-N
XLogP21.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.37
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
3,6-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486703
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
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
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 158364667
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 155378016
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422
9-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 169059921
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole (CID 138728932) is 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4C)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5C)cc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1.
What is the InChIKey of 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
The InChIKey is DHEBEGLLIZZKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60F3N5/c1-45-19-27-60(49(5)35-45)55-23-31-68-64(39-55)65-40-56(61-28-20-46(2)36-50(61)6)24-32-69(65)85(68)72-43-59(77-83-75(53-15-11-9-12-16-53)82-76(84-77)54-17-13-10-14-18-54)44-73(74(72)78(79,80)81)86-70-33-25-57(62-29-21-47(3)37-51(62)7)41-66(70)67-42-58(26-34-71(67)86)63-30-22-48(4)38-52(63)8/h9-44H,1-8H3.
What are the key properties of 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole?
9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 1124.37 g/mol, XLogP of 21.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 138728932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).