2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole

C34H24N4O — CID 174321370

IUPAC2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C34H24N4O/c1-3-10-24(11-4-1)31-36-32(25-12-5-2-6-13-25)38-33(37-31)26-20-18-23(19-21-26)27-14-9-15-28(22-27)34-35-29-16-7-8-17-30(29)39-34/h1-22,33H,(H,36,37,38)
InChIKeySSMKCRJASNZMHH-UHFFFAOYSA-N
MW504.59 g/mol
LogP7.66
Rot. Bonds5

About 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole

2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 174321370) has the molecular formula C34H24N4O and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID174321370
Molecular FormulaC34H24N4O
Molecular Weight504.59 g/mol
Exact Mass504.20
IUPAC Name2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESc1ccc(C2=NC(c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C34H24N4O/c1-3-10-24(11-4-1)31-36-32(25-12-5-2-6-13-25)38-33(37-31)26-20-18-23(19-21-26)27-14-9-15-28(22-27)34-35-29-16-7-8-17-30(29)39-34/h1-22,33H,(H,36,37,38)
InChIKeySSMKCRJASNZMHH-UHFFFAOYSA-N
XLogP7.66
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 170071878
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681641
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-[3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170027959
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole (CID 174321370) is 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole is c1ccc(C2=NC(c3ccc(-c4cccc(-c5nc6ccccc6o5)c4)cc3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is SSMKCRJASNZMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4O/c1-3-10-24(11-4-1)31-36-32(25-12-5-2-6-13-25)38-33(37-31)26-20-18-23(19-21-26)27-14-9-15-28(22-27)34-35-29-16-7-8-17-30(29)39-34/h1-22,33H,(H,36,37,38).
What are the key properties of 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole?
2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 504.59 g/mol, XLogP of 7.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 174321370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).