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

C57H41F6N15 — CID 146393908

IUPAC9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)cn4)c3c2)n1
InChIInChI=1S/C57H41F6N15/c1-26-65-27(2)70-52(69-26)34-9-13-41-42-14-10-35(53-71-28(3)66-29(4)72-53)20-47(42)77(46(41)19-34)50-25-64-51(24-45(50)38-17-39(56(58,59)60)23-40(18-38)57(61,62)63)78-48-21-36(54-73-30(5)67-31(6)74-54)11-15-43(48)44-16-12-37(22-49(44)78)55-75-32(7)68-33(8)76-55/h9-25H,1-8H3
InChIKeyHNVDFWOGIDOMGJ-UHFFFAOYSA-N
MW1050.05 g/mol
LogP12.86
Rot. Bonds7

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

9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 146393908) has the molecular formula C57H41F6N15 and a molecular weight of 1050.05 g/mol. Its IUPAC name is 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
PubChem CID146393908
Molecular FormulaC57H41F6N15
Molecular Weight1050.05 g/mol
Exact Mass1049.36
IUPAC Name9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)cn4)c3c2)n1
InChIInChI=1S/C57H41F6N15/c1-26-65-27(2)70-52(69-26)34-9-13-41-42-14-10-35(53-71-28(3)66-29(4)72-53)20-47(42)77(46(41)19-34)50-25-64-51(24-45(50)38-17-39(56(58,59)60)23-40(18-38)57(61,62)63)78-48-21-36(54-73-30(5)67-31(6)74-54)11-15-43(48)44-16-12-37(22-49(44)78)55-75-32(7)68-33(8)76-55/h9-25H,1-8H3
InChIKeyHNVDFWOGIDOMGJ-UHFFFAOYSA-N
XLogP12.86
TPSA177.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.05
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-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-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole (CID 146393908) is 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)cn4)c3c2)n1.
What is the InChIKey of 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is HNVDFWOGIDOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41F6N15/c1-26-65-27(2)70-52(69-26)34-9-13-41-42-14-10-35(53-71-28(3)66-29(4)72-53)20-47(42)77(46(41)19-34)50-25-64-51(24-45(50)38-17-39(56(58,59)60)23-40(18-38)57(61,62)63)78-48-21-36(54-73-30(5)67-31(6)74-54)11-15-43(48)44-16-12-37(22-49(44)78)55-75-32(7)68-33(8)76-55/h9-25H,1-8H3.
What are the key properties of 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole?
9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1050.05 g/mol, XLogP of 12.86, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 146393908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).