2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole

C42H28N4O — CID 163658292

IUPAC2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6c(c7ccccc7c45)NC(c4ccccc4)O6)n3)cc2)cc1
InChIInChI=1S/C42H28N4O/c1-4-13-27(14-5-1)28-23-25-30(26-24-28)40-44-39(29-15-6-2-7-16-29)45-41(46-40)35-22-12-21-34-36(35)32-19-10-11-20-33(32)37-38(34)47-42(43-37)31-17-8-3-9-18-31/h1-26,42-43H
InChIKeyISDOIJJPZZDXMZ-UHFFFAOYSA-N
MW604.71 g/mol
LogP10.35
Rot. Bonds5

About 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole

2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole (PubChem CID 163658292) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
PubChem CID163658292
Molecular FormulaC42H28N4O
Molecular Weight604.71 g/mol
Exact Mass604.23
IUPAC Name2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6c(c7ccccc7c45)NC(c4ccccc4)O6)n3)cc2)cc1
InChIInChI=1S/C42H28N4O/c1-4-13-27(14-5-1)28-23-25-30(26-24-28)40-44-39(29-15-6-2-7-16-29)45-41(46-40)35-22-12-21-34-36(35)32-19-10-11-20-33(32)37-38(34)47-42(43-37)31-17-8-3-9-18-31/h1-26,42-43H
InChIKeyISDOIJJPZZDXMZ-UHFFFAOYSA-N
XLogP10.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
CID 163834073
9-[4-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazole
CID 163596565
N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166889560
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
6-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydro-[1,3]oxazolo[5,4-k]phenanthridine
CID 146670543
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 166889542
2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155451025
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dihydro-1,3,4-oxadiazole
CID 163614175
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole (CID 163658292) is 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c6c(c7ccccc7c45)NC(c4ccccc4)O6)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole?
The InChIKey is ISDOIJJPZZDXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c1-4-13-27(14-5-1)28-23-25-30(26-24-28)40-44-39(29-15-6-2-7-16-29)45-41(46-40)35-22-12-21-34-36(35)32-19-10-11-20-33(32)37-38(34)47-42(43-37)31-17-8-3-9-18-31/h1-26,42-43H.
What are the key properties of 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole?
2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole has a molecular weight of 604.71 g/mol, XLogP of 10.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrophenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 163658292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).