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

C45H30F3N7 — CID 138486662

IUPAC2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C45H30F3N7/c1-27-49-28(2)51-43(50-27)32-22-23-35-34-18-10-12-20-38(34)55(39(35)26-32)40-25-31(33-17-9-11-19-37(33)45(46,47)48)21-24-36(40)44-53-41(29-13-5-3-6-14-29)52-42(54-44)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyYYDPONTYASWPOU-UHFFFAOYSA-N
MW725.78 g/mol
LogP11.12
Rot. Bonds6

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

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486662) has the molecular formula C45H30F3N7 and a molecular weight of 725.78 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
PubChem CID138486662
Molecular FormulaC45H30F3N7
Molecular Weight725.78 g/mol
Exact Mass725.25
IUPAC Name2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1
InChIInChI=1S/C45H30F3N7/c1-27-49-28(2)51-43(50-27)32-22-23-35-34-18-10-12-20-38(34)55(39(35)26-32)40-25-31(33-17-9-11-19-37(33)45(46,47)48)21-24-36(40)44-53-41(29-13-5-3-6-14-29)52-42(54-44)30-15-7-4-8-16-30/h3-26H,1-2H3
InChIKeyYYDPONTYASWPOU-UHFFFAOYSA-N
XLogP11.12
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.78
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486474
3-[7-(3-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486658
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543874
2-(3,5-dimethylphenyl)-7-[3-[2-[3-[6-(3,5-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-methylphenyl]ethyl]-5-methylphenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486856
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267862
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-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 162611729
2-(2,4-dimethylphenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486639
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
3-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486806
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The IUPAC name of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486662) is 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is Cc1nc(C)nc(-c2ccc3c4ccccc4n(-c4cc(-c5ccccc5C(F)(F)F)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)n1.
What is the InChIKey of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
The InChIKey is YYDPONTYASWPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30F3N7/c1-27-49-28(2)51-43(50-27)32-22-23-35-34-18-10-12-20-38(34)55(39(35)26-32)40-25-31(33-17-9-11-19-37(33)45(46,47)48)21-24-36(40)44-53-41(29-13-5-3-6-14-29)52-42(54-44)30-15-7-4-8-16-30/h3-26H,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole?
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 725.78 g/mol, XLogP of 11.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).