2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine

C46H34N4 — CID 164779744

IUPAC2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)n2)c(C)n1
InChIInChI=1S/C46H34N4/c1-31-25-30-38(32(2)47-31)41-21-12-13-22-42(41)46-49-44(36-19-10-5-11-20-36)48-45(50-46)37-28-26-35(27-29-37)43-39(33-15-6-3-7-16-33)23-14-24-40(43)34-17-8-4-9-18-34/h3-30H,1-2H3
InChIKeyRPALSCVJLDBZOU-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.55
Rot. Bonds7

About 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine

2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 164779744) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID164779744
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)n2)c(C)n1
InChIInChI=1S/C46H34N4/c1-31-25-30-38(32(2)47-31)41-21-12-13-22-42(41)46-49-44(36-19-10-5-11-20-36)48-45(50-46)37-28-26-35(27-29-37)43-39(33-15-6-3-7-16-33)23-14-24-40(43)34-17-8-4-9-18-34/h3-30H,1-2H3
InChIKeyRPALSCVJLDBZOU-UHFFFAOYSA-N
XLogP11.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,4-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 164951309
2-[3-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-[4-[4-(2,4,6-triphenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 170118120
2-(2,6-dimethyl-3-pyridinyl)-4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 155773765
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[4-(3,5-ditert-butylphenyl)phenyl]-4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159606604
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
2,5-bis[4-[4-(2,6-dimethyl-3-pyridinyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169296997
2-[3-[2-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 156513018
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 156513080
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (CID 164779744) is 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is Cc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)n2)c(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is RPALSCVJLDBZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-31-25-30-38(32(2)47-31)41-21-12-13-22-42(41)46-49-44(36-19-10-5-11-20-36)48-45(50-46)37-28-26-35(27-29-37)43-39(33-15-6-3-7-16-33)23-14-24-40(43)34-17-8-4-9-18-34/h3-30H,1-2H3.
What are the key properties of 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 642.81 g/mol, XLogP of 11.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-3-pyridinyl)phenyl]-4-[4-(2,6-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164779744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).