9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

C56H44F3N17 — CID 134321402

IUPAC9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C56H44F3N17/c1-25-60-26(2)66-51(65-25)35-11-15-40-41-16-12-36(52-67-27(3)61-28(4)68-52)20-45(41)75(44(40)19-35)48-23-39(55-73-33(9)64-34(10)74-55)24-49(50(48)56(57,58)59)76-46-21-37(53-69-29(5)62-30(6)70-53)13-17-42(46)43-18-14-38(22-47(43)76)54-71-31(7)63-32(8)72-54/h11-24H,1-10H3
InChIKeyUBZGXRCYXSICFQ-UHFFFAOYSA-N
MW1012.08 g/mol
LogP11.24
Rot. Bonds7

About 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole

9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 134321402) has the molecular formula C56H44F3N17 and a molecular weight of 1012.08 g/mol. Its IUPAC name is 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
PubChem CID134321402
Molecular FormulaC56H44F3N17
Molecular Weight1012.08 g/mol
Exact Mass1011.39
IUPAC Name9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1
InChIInChI=1S/C56H44F3N17/c1-25-60-26(2)66-51(65-25)35-11-15-40-41-16-12-36(52-67-27(3)61-28(4)68-52)20-45(41)75(44(40)19-35)48-23-39(55-73-33(9)64-34(10)74-55)24-49(50(48)56(57,58)59)76-46-21-37(53-69-29(5)62-30(6)70-53)13-17-42(46)43-18-14-38(22-47(43)76)54-71-31(7)63-32(8)72-54/h11-24H,1-10H3
InChIKeyUBZGXRCYXSICFQ-UHFFFAOYSA-N
XLogP11.24
TPSA203.21 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.08
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (CID 134321402) is 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is Cc1nc(C)nc(-c2cc(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5nc(C)nc(C)n5)ccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1.
What is the InChIKey of 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is UBZGXRCYXSICFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44F3N17/c1-25-60-26(2)66-51(65-25)35-11-15-40-41-16-12-36(52-67-27(3)61-28(4)68-52)20-45(41)75(44(40)19-35)48-23-39(55-73-33(9)64-34(10)74-55)24-49(50(48)56(57,58)59)76-46-21-37(53-69-29(5)62-30(6)70-53)13-17-42(46)43-18-14-38(22-47(43)76)54-71-31(7)63-32(8)72-54/h11-24H,1-10H3.
What are the key properties of 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1012.08 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 134321402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).