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

C45H35N5 — CID 130184264

IUPAC2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1=CCC(c2ccc(-c3cc(-c4ccc(-c5ccc(C)nc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)C=N1
InChIInChI=1S/C45H35N5/c1-30-13-15-38(28-46-30)32-17-21-34(22-18-32)40-25-41(35-23-19-33(20-24-35)39-16-14-31(2)47-29-39)27-42(26-40)45-49-43(36-9-5-3-6-10-36)48-44(50-45)37-11-7-4-8-12-37/h3-15,17-29,39H,16H2,1-2H3
InChIKeyQPSSHCRSIOKORE-UHFFFAOYSA-N
MW645.81 g/mol
LogP11.04
Rot. Bonds7

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

2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 130184264) has the molecular formula C45H35N5 and a molecular weight of 645.81 g/mol. Its IUPAC name is 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID130184264
Molecular FormulaC45H35N5
Molecular Weight645.81 g/mol
Exact Mass645.29
IUPAC Name2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1=CCC(c2ccc(-c3cc(-c4ccc(-c5ccc(C)nc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)C=N1
InChIInChI=1S/C45H35N5/c1-30-13-15-38(28-46-30)32-17-21-34(22-18-32)40-25-41(35-23-19-33(20-24-35)39-16-14-31(2)47-29-39)27-42(26-40)45-49-43(36-9-5-3-6-10-36)48-44(50-45)37-11-7-4-8-12-37/h3-15,17-29,39H,16H2,1-2H3
InChIKeyQPSSHCRSIOKORE-UHFFFAOYSA-N
XLogP11.04
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2,4-dimethyl-6-[4-[4-methyl-6-[3-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)-5-pyridin-3-ylphenyl]-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176842864
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
4-methyl-2-phenyl-6-(5-phenyl-2-pyridinyl)pyrimidine
CID 146568405
2-[3-[4-(1-adamantyl)cyclohexa-2,4-dien-1-yl]-5-pyridin-3-ylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 147355006
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 130184264) is 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1=CCC(c2ccc(-c3cc(-c4ccc(-c5ccc(C)nc5)cc4)cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc2)C=N1.
What is the InChIKey of 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QPSSHCRSIOKORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N5/c1-30-13-15-38(28-46-30)32-17-21-34(22-18-32)40-25-41(35-23-19-33(20-24-35)39-16-14-31(2)47-29-39)27-42(26-40)45-49-43(36-9-5-3-6-10-36)48-44(50-45)37-11-7-4-8-12-37/h3-15,17-29,39H,16H2,1-2H3.
What are the key properties of 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 645.81 g/mol, XLogP of 11.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(6-methyl-3,4-dihydropyridin-3-yl)phenyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 130184264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).