4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C25H19N3 — CID 167029866

IUPAC4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESC1=NC(c2ccc3ccccc3c2)N=C(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C25H19N3/c1-2-6-18(7-3-1)20-10-13-21(14-11-20)24-26-17-27-25(28-24)23-15-12-19-8-4-5-9-22(19)16-23/h1-17,25H,(H,26,27,28)
InChIKeyKXRDVSONPJEEQK-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.58
Rot. Bonds3

About 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 167029866) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID167029866
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESC1=NC(c2ccc3ccccc3c2)N=C(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C25H19N3/c1-2-6-18(7-3-1)20-10-13-21(14-11-20)24-26-17-27-25(28-24)23-15-12-19-8-4-5-9-22(19)16-23/h1-17,25H,(H,26,27,28)
InChIKeyKXRDVSONPJEEQK-UHFFFAOYSA-N
XLogP5.58
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 129090176
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
4-[6'-(2-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3'-yl]isoquinoline
CID 146547868
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-chloro-2-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030048
4-[2-(4-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]benzonitrile
CID 174322964
9-(4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-1,3-diphenyl-3,4-dihydrobenzo[f]quinoline
CID 163632731
2-phenanthren-3-yl-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170227940

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 167029866) is 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is C1=NC(c2ccc3ccccc3c2)N=C(c2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is KXRDVSONPJEEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-2-6-18(7-3-1)20-10-13-21(14-11-20)24-26-17-27-25(28-24)23-15-12-19-8-4-5-9-22(19)16-23/h1-17,25H,(H,26,27,28).
What are the key properties of 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 361.45 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).