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

C48H33F3N4 — CID 138486639

IUPAC2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C48H33F3N4/c1-30-17-24-38(31(2)27-30)36-21-25-40-39-15-9-10-16-42(39)55(43(40)29-36)44-28-35(32-18-22-37(23-19-32)48(49,50)51)20-26-41(44)47-53-45(33-11-5-3-6-12-33)52-46(54-47)34-13-7-4-8-14-34/h3-29H,1-2H3
InChIKeyKEUPVVFCBFQMDR-UHFFFAOYSA-N
MW722.81 g/mol
LogP12.94
Rot. Bonds6

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

2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486639) has the molecular formula C48H33F3N4 and a molecular weight of 722.81 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486639
Molecular FormulaC48H33F3N4
Molecular Weight722.81 g/mol
Exact Mass722.27
IUPAC Name2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C48H33F3N4/c1-30-17-24-38(31(2)27-30)36-21-25-40-39-15-9-10-16-42(39)55(43(40)29-36)44-28-35(32-18-22-37(23-19-32)48(49,50)51)20-26-41(44)47-53-45(33-11-5-3-6-12-33)52-46(54-47)34-13-7-4-8-14-34/h3-29H,1-2H3
InChIKeyKEUPVVFCBFQMDR-UHFFFAOYSA-N
XLogP12.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.81
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486383
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 162611758
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-4-ylphenyl]-2-(3-methylphenyl)carbazole
CID 138578568
[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[2-[3,5-bis(trifluoromethyl)phenyl]-7-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 159602449
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 138486422
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486384
9-[5-[3-[3-[3,6-bis(3-methylphenyl)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]-3,6-bis(3-methylphenyl)carbazole;9-[5-[3-[3-[3,6-bis(4-methylphenyl)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]-3,6-bis(4-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 163967215
9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658641
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-2-(4-methylphenyl)carbazole
CID 138578907
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 159135783

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486639) is 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is KEUPVVFCBFQMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F3N4/c1-30-17-24-38(31(2)27-30)36-21-25-40-39-15-9-10-16-42(39)55(43(40)29-36)44-28-35(32-18-22-37(23-19-32)48(49,50)51)20-26-41(44)47-53-45(33-11-5-3-6-12-33)52-46(54-47)34-13-7-4-8-14-34/h3-29H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole?
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 722.81 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).