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

C66H42F3N11 — CID 134321403

IUPAC9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)n1
InChIInChI=1S/C66H42F3N11/c1-39-70-40(2)72-65(71-39)47-37-56(79-52-29-17-15-27-48(52)50-33-31-45(35-54(50)79)63-75-59(41-19-7-3-8-20-41)73-60(76-63)42-21-9-4-10-22-42)58(66(67,68)69)57(38-47)80-53-30-18-16-28-49(53)51-34-32-46(36-55(51)80)64-77-61(43-23-11-5-12-24-43)74-62(78-64)44-25-13-6-14-26-44/h3-38H,1-2H3
InChIKeyRPDCXBCOKYUCKA-UHFFFAOYSA-N
MW1046.13 g/mol
LogP15.74
Rot. Bonds9

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

9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 134321403) has the molecular formula C66H42F3N11 and a molecular weight of 1046.13 g/mol. Its IUPAC name is 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID134321403
Molecular FormulaC66H42F3N11
Molecular Weight1046.13 g/mol
Exact Mass1045.36
IUPAC Name9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)n1
InChIInChI=1S/C66H42F3N11/c1-39-70-40(2)72-65(71-39)47-37-56(79-52-29-17-15-27-48(52)50-33-31-45(35-54(50)79)63-75-59(41-19-7-3-8-20-41)73-60(76-63)42-21-9-4-10-22-42)58(66(67,68)69)57(38-47)80-53-30-18-16-28-49(53)51-34-32-46(36-55(51)80)64-77-61(43-23-11-5-12-24-43)74-62(78-64)44-25-13-6-14-26-44/h3-38H,1-2H3
InChIKeyRPDCXBCOKYUCKA-UHFFFAOYSA-N
XLogP15.74
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.13
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 134321403) is 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c2)n1.
What is the InChIKey of 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is RPDCXBCOKYUCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42F3N11/c1-39-70-40(2)72-65(71-39)47-37-56(79-52-29-17-15-27-48(52)50-33-31-45(35-54(50)79)63-75-59(41-19-7-3-8-20-41)73-60(76-63)42-21-9-4-10-22-42)58(66(67,68)69)57(38-47)80-53-30-18-16-28-49(53)51-34-32-46(36-55(51)80)64-77-61(43-23-11-5-12-24-43)74-62(78-64)44-25-13-6-14-26-44/h3-38H,1-2H3.
What are the key properties of 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1046.13 g/mol, XLogP of 15.74, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 134321403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).