2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C42H32N4O — CID 134401083

IUPAC2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccc6ccc7c(c6c5c4)OC(c4ccccc4)N7)NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C42H32N4O/c1-4-10-27(11-5-1)28-16-21-32(22-17-28)40-44-39(31-12-6-2-7-13-31)45-41(46-40)34-23-19-29-18-20-30-24-25-36-38(37(30)35(29)26-34)47-42(43-36)33-14-8-3-9-15-33/h1-26,39,41-43,45H,(H,44,46)
InChIKeyALZUJPFQLWSNNE-UHFFFAOYSA-N
MW608.75 g/mol
LogP9.50
Rot. Bonds5

About 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 134401083) has the molecular formula C42H32N4O and a molecular weight of 608.75 g/mol. Its IUPAC name is 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID134401083
Molecular FormulaC42H32N4O
Molecular Weight608.75 g/mol
Exact Mass608.26
IUPAC Name2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccc6ccc7c(c6c5c4)OC(c4ccccc4)N7)NC(c4ccccc4)N3)cc2)cc1
InChIInChI=1S/C42H32N4O/c1-4-10-27(11-5-1)28-16-21-32(22-17-28)40-44-39(31-12-6-2-7-13-31)45-41(46-40)34-23-19-29-18-20-30-24-25-36-38(37(30)35(29)26-34)47-42(43-36)33-14-8-3-9-15-33/h1-26,39,41-43,45H,(H,44,46)
InChIKeyALZUJPFQLWSNNE-UHFFFAOYSA-N
XLogP9.50
TPSA57.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 59.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614519
10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 129095246
10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614349
9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614201
2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 166990862
6-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-4-phenylmethoxyphenanthren-3-amine
CID 126614523
4-(4-fluoro-3-methylphenyl)-2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 139304267
2-phenyl-10-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 146330041
6-[3-[4-[4-(1,2-dihydropyridin-4-yl)phenyl]-2-pyridin-4-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-2-phenyl-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390813
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 134401083) is 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2ccc(C3=NC(c4ccc5ccc6ccc7c(c6c5c4)OC(c4ccccc4)N7)NC(c4ccccc4)N3)cc2)cc1.
What is the InChIKey of 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is ALZUJPFQLWSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4O/c1-4-10-27(11-5-1)28-16-21-32(22-17-28)40-44-39(31-12-6-2-7-13-31)45-41(46-40)34-23-19-29-18-20-30-24-25-36-38(37(30)35(29)26-34)47-42(43-36)33-14-8-3-9-15-33/h1-26,39,41-43,45H,(H,44,46).
What are the key properties of 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 608.75 g/mol, XLogP of 9.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-10-[2-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 134401083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).