2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine

C30H27N3 — CID 131966641

IUPAC2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine
SMILESCC(C)Cc1ccc(-c2nc(Cc3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H27N3/c1-21(2)18-22-12-16-26(17-13-22)30-32-28(31-29(33-30)25-9-4-3-5-10-25)20-23-14-15-24-8-6-7-11-27(24)19-23/h3-17,19,21H,18,20H2,1-2H3
InChIKeyOXVHDEOHTOYVIN-UHFFFAOYSA-N
MW429.57 g/mol
LogP7.15
Rot. Bonds6

About 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine

2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine (PubChem CID 131966641) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine
PubChem CID131966641
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine
SMILESCC(C)Cc1ccc(-c2nc(Cc3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C30H27N3/c1-21(2)18-22-12-16-26(17-13-22)30-32-28(31-29(33-30)25-9-4-3-5-10-25)20-23-14-15-24-8-6-7-11-27(24)19-23/h3-17,19,21H,18,20H2,1-2H3
InChIKeyOXVHDEOHTOYVIN-UHFFFAOYSA-N
XLogP7.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58299195
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-propan-2-yl-1,3,5-triazine
CID 159185452
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
7-(2-methylpropyl)-3-phenylisoquinoline
CID 170528428
3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole
CID 144884574
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
2-[(3-cyclohepta-1,4,6-trien-1-yl-5-phenylphenyl)methyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 91515561
N-methyl-4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-amine
CID 148586360
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2,4-dinaphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;ethane
CID 165043566
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
CID 159258781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine (CID 131966641) is 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine is CC(C)Cc1ccc(-c2nc(Cc3ccc4ccccc4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine?
The InChIKey is OXVHDEOHTOYVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3/c1-21(2)18-22-12-16-26(17-13-22)30-32-28(31-29(33-30)25-9-4-3-5-10-25)20-23-14-15-24-8-6-7-11-27(24)19-23/h3-17,19,21H,18,20H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine?
2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine has a molecular weight of 429.57 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 131966641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).