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

C46H28F3N5 — CID 134321059

IUPAC9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H28F3N5/c47-46(48,49)42-40(53-36-23-11-7-19-32(36)33-20-8-12-24-37(33)53)27-31(28-41(42)54-38-25-13-9-21-34(38)35-22-10-14-26-39(35)54)45-51-43(29-15-3-1-4-16-29)50-44(52-45)30-17-5-2-6-18-30/h1-28H
InChIKeyHGIJIWCWNBBRMQ-UHFFFAOYSA-N
MW707.76 g/mol
LogP12.09
Rot. Bonds5

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

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 134321059) has the molecular formula C46H28F3N5 and a molecular weight of 707.76 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
PubChem CID134321059
Molecular FormulaC46H28F3N5
Molecular Weight707.76 g/mol
Exact Mass707.23
IUPAC Name9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C46H28F3N5/c47-46(48,49)42-40(53-36-23-11-7-19-32(36)33-20-8-12-24-37(33)53)27-31(28-41(42)54-38-25-13-9-21-34(38)35-22-10-14-26-39(35)54)45-51-43(29-15-3-1-4-16-29)50-44(52-45)30-17-5-2-6-18-30/h1-28H
InChIKeyHGIJIWCWNBBRMQ-UHFFFAOYSA-N
XLogP12.09
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.76
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 139419692
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501854
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
CID 134321401
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 169287117
9-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 138728932
9-[3-[5-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]carbazole
CID 169059849
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
5-[3,5-di(carbazol-9-yl)-4-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 139538793
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]triphenylen-1-yl]carbazole
CID 167377814
3-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (CID 134321059) is 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is HGIJIWCWNBBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28F3N5/c47-46(48,49)42-40(53-36-23-11-7-19-32(36)33-20-8-12-24-37(33)53)27-31(28-41(42)54-38-25-13-9-21-34(38)35-22-10-14-26-39(35)54)45-51-43(29-15-3-1-4-16-29)50-44(52-45)30-17-5-2-6-18-30/h1-28H.
What are the key properties of 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 707.76 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 134321059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).