9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole

C42H28F3N5 — CID 170444614

IUPAC9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)n1
InChIInChI=1S/C42H28F3N5/c1-25-16-19-36-31(22-25)32-23-26(2)17-20-37(32)50(36)41-47-39(27-10-4-3-5-11-27)46-40(48-41)28-18-21-38(33(24-28)42(43,44)45)49-34-14-8-6-12-29(34)30-13-7-9-15-35(30)49/h3-24H,1-2H3
InChIKeyPRSZSNLGOWKRSC-UHFFFAOYSA-N
MW659.72 g/mol
LogP11.04
Rot. Bonds4

About 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole

9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole (PubChem CID 170444614) has the molecular formula C42H28F3N5 and a molecular weight of 659.72 g/mol. Its IUPAC name is 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
PubChem CID170444614
Molecular FormulaC42H28F3N5
Molecular Weight659.72 g/mol
Exact Mass659.23
IUPAC Name9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)n1
InChIInChI=1S/C42H28F3N5/c1-25-16-19-36-31(22-25)32-23-26(2)17-20-37(32)50(36)41-47-39(27-10-4-3-5-11-27)46-40(48-41)28-18-21-38(33(24-28)42(43,44)45)49-34-14-8-6-12-29(34)30-13-7-9-15-35(30)49/h3-24H,1-2H3
InChIKeyPRSZSNLGOWKRSC-UHFFFAOYSA-N
XLogP11.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.72
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
9-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 170444550
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-[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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)-6-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138554678
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-[2-[2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059900
9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138554822
9-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138554263
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 165051640
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole (CID 170444614) is 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C(F)(F)F)c2)n1.
What is the InChIKey of 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole?
The InChIKey is PRSZSNLGOWKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F3N5/c1-25-16-19-36-31(22-25)32-23-26(2)17-20-37(32)50(36)41-47-39(27-10-4-3-5-11-27)46-40(48-41)28-18-21-38(33(24-28)42(43,44)45)49-34-14-8-6-12-29(34)30-13-7-9-15-35(30)49/h3-24H,1-2H3.
What are the key properties of 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole?
9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole has a molecular weight of 659.72 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethylcarbazole is sourced from PubChem (CID 170444614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).