2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C45H32N4 — CID 146586988

IUPAC2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccnc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)c1
InChIInChI=1S/C45H32N4/c1-31-26-27-46-42(28-31)40-16-8-14-38(29-40)39-15-9-17-41(30-39)45-48-43(36-22-18-34(19-23-36)32-10-4-2-5-11-32)47-44(49-45)37-24-20-35(21-25-37)33-12-6-3-7-13-33/h2-30H,1H3
InChIKeyIRYBTSIKUDKUEP-UHFFFAOYSA-N
MW628.78 g/mol
LogP11.24
Rot. Bonds7

About 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146586988) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID146586988
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCc1ccnc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)c1
InChIInChI=1S/C45H32N4/c1-31-26-27-46-42(28-31)40-16-8-14-38(29-40)39-15-9-17-41(30-39)45-48-43(36-22-18-34(19-23-36)32-10-4-2-5-11-32)47-44(49-45)37-24-20-35(21-25-37)33-12-6-3-7-13-33/h2-30H,1H3
InChIKeyIRYBTSIKUDKUEP-UHFFFAOYSA-N
XLogP11.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 146586988) is 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is Cc1ccnc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2)c1.
What is the InChIKey of 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IRYBTSIKUDKUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-31-26-27-46-42(28-31)40-16-8-14-38(29-40)39-15-9-17-41(30-39)45-48-43(36-22-18-34(19-23-36)32-10-4-2-5-11-32)47-44(49-45)37-24-20-35(21-25-37)33-12-6-3-7-13-33/h2-30H,1H3.
What are the key properties of 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 628.78 g/mol, XLogP of 11.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146586988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).