2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine

C59H54N8 — CID 129312277

IUPAC2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESC=C1C(C)=CC=CC1c1cc(C2=NC(c3cc(-c4cccc(C)n4)cc(C4C=CC=C(C)N4)c3)N=C(c3cc(C4=CC=CC(C)N4)cc(-c4cccc(C)n4)c3)N2)cc(-c2cccc(C)n2)c1
InChIInChI=1S/C59H54N8/c1-35-14-8-20-51(41(35)7)42-26-43(52-21-9-15-36(2)60-52)30-48(27-42)57-65-58(49-31-44(53-22-10-16-37(3)61-53)28-45(32-49)54-23-11-17-38(4)62-54)67-59(66-57)50-33-46(55-24-12-18-39(5)63-55)29-47(34-50)56-25-13-19-40(6)64-56/h8-34,37,51,55,59,61,63H,7H2,1-6H3,(H,65,66,67)
InChIKeyFVMXGYGIYLGGOB-UHFFFAOYSA-N
MW875.14 g/mol
LogP12.44
Rot. Bonds9

About 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine

2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 129312277) has the molecular formula C59H54N8 and a molecular weight of 875.14 g/mol. Its IUPAC name is 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID129312277
Molecular FormulaC59H54N8
Molecular Weight875.14 g/mol
Exact Mass874.45
IUPAC Name2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESC=C1C(C)=CC=CC1c1cc(C2=NC(c3cc(-c4cccc(C)n4)cc(C4C=CC=C(C)N4)c3)N=C(c3cc(C4=CC=CC(C)N4)cc(-c4cccc(C)n4)c3)N2)cc(-c2cccc(C)n2)c1
InChIInChI=1S/C59H54N8/c1-35-14-8-20-51(41(35)7)42-26-43(52-21-9-15-36(2)60-52)30-48(27-42)57-65-58(49-31-44(53-22-10-16-37(3)61-53)28-45(32-49)54-23-11-17-38(4)62-54)67-59(66-57)50-33-46(55-24-12-18-39(5)63-55)29-47(34-50)56-25-13-19-40(6)64-56/h8-34,37,51,55,59,61,63H,7H2,1-6H3,(H,65,66,67)
InChIKeyFVMXGYGIYLGGOB-UHFFFAOYSA-N
XLogP12.44
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.14
LogP ≤ 512.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine (CID 129312277) is 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine is C=C1C(C)=CC=CC1c1cc(C2=NC(c3cc(-c4cccc(C)n4)cc(C4C=CC=C(C)N4)c3)N=C(c3cc(C4=CC=CC(C)N4)cc(-c4cccc(C)n4)c3)N2)cc(-c2cccc(C)n2)c1.
What is the InChIKey of 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is FVMXGYGIYLGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54N8/c1-35-14-8-20-51(41(35)7)42-26-43(52-21-9-15-36(2)60-52)30-48(27-42)57-65-58(49-31-44(53-22-10-16-37(3)61-53)28-45(32-49)54-23-11-17-38(4)62-54)67-59(66-57)50-33-46(55-24-12-18-39(5)63-55)29-47(34-50)56-25-13-19-40(6)64-56/h8-34,37,51,55,59,61,63H,7H2,1-6H3,(H,65,66,67).
What are the key properties of 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine?
2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 875.14 g/mol, XLogP of 12.44, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-1,2-dihydropyridin-6-yl)-5-(6-methyl-2-pyridinyl)phenyl]-4-[3-(6-methyl-1,2-dihydropyridin-2-yl)-5-(6-methyl-2-pyridinyl)phenyl]-6-[3-(5-methyl-6-methylidenecyclohexa-2,4-dien-1-yl)-5-(6-methyl-2-pyridinyl)phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 129312277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).