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

C54H34F6N4 — CID 153252844

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(C(F)(F)F)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C54H34F6N4/c1-33-14-8-9-23-42(33)38-26-27-48-46(30-38)43-24-10-11-25-47(43)64(48)49-44(36-19-12-21-40(28-36)53(55,56)57)31-39(32-45(49)37-20-13-22-41(29-37)54(58,59)60)52-62-50(34-15-4-2-5-16-34)61-51(63-52)35-17-6-3-7-18-35/h2-32H,1H3
InChIKeyWTRIAVVNPQEXHE-UHFFFAOYSA-N
MW852.88 g/mol
LogP15.32
Rot. Bonds7

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 153252844) has the molecular formula C54H34F6N4 and a molecular weight of 852.88 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
PubChem CID153252844
Molecular FormulaC54H34F6N4
Molecular Weight852.88 g/mol
Exact Mass852.27
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(C(F)(F)F)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C54H34F6N4/c1-33-14-8-9-23-42(33)38-26-27-48-46(30-38)43-24-10-11-25-47(43)64(48)49-44(36-19-12-21-40(28-36)53(55,56)57)31-39(32-45(49)37-20-13-22-41(29-37)54(58,59)60)52-62-50(34-15-4-2-5-16-34)61-51(63-52)35-17-6-3-7-18-35/h2-32H,1H3
InChIKeyWTRIAVVNPQEXHE-UHFFFAOYSA-N
XLogP15.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.88
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole
CID 161442212
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447081
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-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole
CID 138554819
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155446592
4-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 155447090
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 161470259
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155447546
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-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 160614221

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole (CID 153252844) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(C(F)(F)F)c2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
The InChIKey is WTRIAVVNPQEXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F6N4/c1-33-14-8-9-23-42(33)38-26-27-48-46(30-38)43-24-10-11-25-47(43)64(48)49-44(36-19-12-21-40(28-36)53(55,56)57)31-39(32-45(49)37-20-13-22-41(29-37)54(58,59)60)52-62-50(34-15-4-2-5-16-34)61-51(63-52)35-17-6-3-7-18-35/h2-32H,1H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 852.88 g/mol, XLogP of 15.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 153252844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).