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

C46H32F3N9 — CID 156282840

IUPAC3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-pyridinyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCC1=NC(=NC(=N1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=C(N=CC=C5)C6=C(C=CC(=C6)C(F)(F)F)N7C8=C(C=C(C=C8)C9=NC(=NC(=N9)C)C)C1=CC=CC=C17)C
InChIInChI=1S/C46H32F3N9/c1-25-51-26(2)54-44(53-25)29-15-18-39-34(22-29)32-10-5-7-12-37(32)57(39)41-20-17-31(46(47,48)49)24-36(41)43-42(14-9-21-50-43)58-38-13-8-6-11-33(38)35-23-30(16-19-40(35)58)45-55-27(3)52-28(4)56-45/h5-24H,1-4H3
InChIKeyVXMPDIYTRAOEQV-UHFFFAOYSA-N
MW767.80 g/mol
LogP10.60
Rot. Bonds5

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

3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 156282840) has the molecular formula C46H32F3N9 and a molecular weight of 767.80 g/mol. Its IUPAC name is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-pyridinyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID156282840
Molecular FormulaC46H32F3N9
Molecular Weight767.80 g/mol
Exact Mass767.27
IUPAC Name3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-pyridinyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCC1=NC(=NC(=N1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=C(N=CC=C5)C6=C(C=CC(=C6)C(F)(F)F)N7C8=C(C=C(C=C8)C9=NC(=NC(=N9)C)C)C1=CC=CC=C17)C
InChIInChI=1S/C46H32F3N9/c1-25-51-26(2)54-44(53-25)29-15-18-39-34(22-29)32-10-5-7-12-37(32)57(39)41-20-17-31(46(47,48)49)24-36(41)43-42(14-9-21-50-43)58-38-13-8-6-11-33(38)35-23-30(16-19-40(35)58)45-55-27(3)52-28(4)56-45/h5-24H,1-4H3
InChIKeyVXMPDIYTRAOEQV-UHFFFAOYSA-N
XLogP10.60
TPSA100.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms58
Complexity1380

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.80
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole (CID 156282840) is 3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-pyridinyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole is CC1=NC(=NC(=N1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=C(N=CC=C5)C6=C(C=CC(=C6)C(F)(F)F)N7C8=C(C=C(C=C8)C9=NC(=NC(=N9)C)C)C1=CC=CC=C17)C.
What is the InChIKey of 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is VXMPDIYTRAOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32F3N9/c1-25-51-26(2)54-44(53-25)29-15-18-39-34(22-29)32-10-5-7-12-37(32)57(39)41-20-17-31(46(47,48)49)24-36(41)43-42(14-9-21-50-43)58-38-13-8-6-11-33(38)35-23-30(16-19-40(35)58)45-55-27(3)52-28(4)56-45/h5-24H,1-4H3.
What are the key properties of 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole?
3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 767.80 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-Dimethyl-1,3,5-triazin-2-yl)-9-[2-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]pyridin-2-yl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 156282840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).