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

C54H31F9N6 — CID 158207837

IUPAC9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccn1
InChIInChI=1S/C54H31F9N6/c1-30-12-17-46-38(24-30)39-26-36(54(61,62)63)16-21-47(39)69(46)48-18-13-33(51-66-49(31-8-4-2-5-9-31)65-50(67-51)32-10-6-3-7-11-32)25-42(48)43-29-37(22-23-64-43)68-44-19-14-34(52(55,56)57)27-40(44)41-28-35(53(58,59)60)15-20-45(41)68/h2-29H,1H3
InChIKeyIDGHXGSUJJRZNL-UHFFFAOYSA-N
MW934.87 g/mol
LogP15.49
Rot. Bonds6

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

9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole (PubChem CID 158207837) has the molecular formula C54H31F9N6 and a molecular weight of 934.87 g/mol. Its IUPAC name is 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
PubChem CID158207837
Molecular FormulaC54H31F9N6
Molecular Weight934.87 g/mol
Exact Mass934.25
IUPAC Name9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
SMILESCc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccn1
InChIInChI=1S/C54H31F9N6/c1-30-12-17-46-38(24-30)39-26-36(54(61,62)63)16-21-47(39)69(46)48-18-13-33(51-66-49(31-8-4-2-5-9-31)65-50(67-51)32-10-6-3-7-11-32)25-42(48)43-29-37(22-23-64-43)68-44-19-14-34(52(55,56)57)27-40(44)41-28-35(53(58,59)60)15-20-45(41)68/h2-29H,1H3
InChIKeyIDGHXGSUJJRZNL-UHFFFAOYSA-N
XLogP15.49
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.87
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-methylcarbazole
CID 156679474
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158163646
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 162611962
2-[3-(3,6-dimethylcarbazol-9-yl)-4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 159473587
4-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile
CID 158566298
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203970
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 155447406
9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 138554702
2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole (CID 158207837) is 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole is Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)ccn1.
What is the InChIKey of 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The InChIKey is IDGHXGSUJJRZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31F9N6/c1-30-12-17-46-38(24-30)39-26-36(54(61,62)63)16-21-47(39)69(46)48-18-13-33(51-66-49(31-8-4-2-5-9-31)65-50(67-51)32-10-6-3-7-11-32)25-42(48)43-29-37(22-23-64-43)68-44-19-14-34(52(55,56)57)27-40(44)41-28-35(53(58,59)60)15-20-45(41)68/h2-29H,1H3.
What are the key properties of 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole has a molecular weight of 934.87 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 158207837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).