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

C84H64F3N5 — CID 169059921

IUPAC9-[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
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C(F)(F)F)c1
InChIInChI=1S/C84H64F3N5/c1-49-32-50(2)37-64(36-49)59-23-28-74-70(44-59)71-45-60(65-38-51(3)33-52(4)39-65)24-29-75(71)91(74)78-21-15-20-69(80(78)84(85,86)87)68-27-22-63(83-89-81(57-16-11-9-12-17-57)88-82(90-83)58-18-13-10-14-19-58)48-79(68)92-76-30-25-61(66-40-53(5)34-54(6)41-66)46-72(76)73-47-62(26-31-77(73)92)67-42-55(7)35-56(8)43-67/h9-48H,1-8H3
InChIKeyCTZTZAVSGIYBLP-UHFFFAOYSA-N
MW1200.46 g/mol
LogP22.89
Rot. Bonds10

About 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

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 (PubChem CID 169059921) has the molecular formula C84H64F3N5 and a molecular weight of 1200.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID169059921
Molecular FormulaC84H64F3N5
Molecular Weight1200.46 g/mol
Exact Mass1199.51
IUPAC Name9-[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
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C(F)(F)F)c1
InChIInChI=1S/C84H64F3N5/c1-49-32-50(2)37-64(36-49)59-23-28-74-70(44-59)71-45-60(65-38-51(3)33-52(4)39-65)24-29-75(71)91(74)78-21-15-20-69(80(78)84(85,86)87)68-27-22-63(83-89-81(57-16-11-9-12-17-57)88-82(90-83)58-18-13-10-14-19-58)48-79(68)92-76-30-25-61(66-40-53(5)34-54(6)41-66)46-72(76)73-47-62(26-31-77(73)92)67-42-55(7)35-56(8)43-67/h9-48H,1-8H3
InChIKeyCTZTZAVSGIYBLP-UHFFFAOYSA-N
XLogP22.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.46
LogP ≤ 522.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

9-[3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 169059962
9-[2-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155462813
3,6-bis(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole
CID 138549722
3-(3,5-dimethylphenyl)-9-[5-[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162500772
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-[2-[3-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
CID 163837931
9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 169060017
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138554301
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-(2,6-diphenylpyrimidin-4-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161474942
3,6-di(carbazol-9-yl)-9-[3-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059872
9-[2-[3-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 162500791
9-[3-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole-3,6-dicarbonitrile
CID 169059978

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2cccc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is CTZTZAVSGIYBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H64F3N5/c1-49-32-50(2)37-64(36-49)59-23-28-74-70(44-59)71-45-60(65-38-51(3)33-52(4)39-65)24-29-75(71)91(74)78-21-15-20-69(80(78)84(85,86)87)68-27-22-63(83-89-81(57-16-11-9-12-17-57)88-82(90-83)58-18-13-10-14-19-58)48-79(68)92-76-30-25-61(66-40-53(5)34-54(6)41-66)46-72(76)73-47-62(26-31-77(73)92)67-42-55(7)35-56(8)43-67/h9-48H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1200.46 g/mol, XLogP of 22.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169059921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).