11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole

C41H28N4O — CID 161208198

IUPAC11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(C2=NC(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C41H28N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26,40H,(H,42,43,44)
InChIKeyUVWOHSGXMGRWRO-UHFFFAOYSA-N
MW592.70 g/mol
LogP9.67
Rot. Bonds5

About 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole

11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole (PubChem CID 161208198) has the molecular formula C41H28N4O and a molecular weight of 592.70 g/mol. Its IUPAC name is 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
PubChem CID161208198
Molecular FormulaC41H28N4O
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(C2=NC(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C41H28N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26,40H,(H,42,43,44)
InChIKeyUVWOHSGXMGRWRO-UHFFFAOYSA-N
XLogP9.67
TPSA54.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 59.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782486
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 174321370
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
5-[2-dibenzofuran-4-yl-4-[2-(3-phenylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
CID 155475017
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
CID 164974708
9-[4-[2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]dibenzofuran-3-yl]carbazole
CID 167032747

Frequently Asked Questions

What is the IUPAC name of 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole (CID 161208198) is 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole is c1ccc(C2=NC(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The InChIKey is UVWOHSGXMGRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)39-42-38(30-13-5-2-6-14-30)43-40(44-39)32-25-21-29(22-26-32)37-33-15-7-8-16-34(33)45-35-17-9-10-18-36(35)46-41(37)45/h1-26,40H,(H,42,43,44).
What are the key properties of 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole?
11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole has a molecular weight of 592.70 g/mol, XLogP of 9.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 161208198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).