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

C49H30N4O — CID 164782486

IUPAC11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1cc(-c2ccc(-c3c4ccccc4n4c3oc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C49H30N4O/c1-3-12-35-29-39(26-22-31(35)10-1)47-50-46(51-48(52-47)40-27-23-32-11-2-4-13-36(32)30-40)38-15-9-14-37(28-38)33-20-24-34(25-21-33)45-41-16-5-6-17-42(41)53-43-18-7-8-19-44(43)54-49(45)53/h1-30H
InChIKeyRPMRYBRERLPMLB-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.67
Rot. Bonds5

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

11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole (PubChem CID 164782486) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
PubChem CID164782486
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1cc(-c2ccc(-c3c4ccccc4n4c3oc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C49H30N4O/c1-3-12-35-29-39(26-22-31(35)10-1)47-50-46(51-48(52-47)40-27-23-32-11-2-4-13-36(32)30-40)38-15-9-14-37(28-38)33-20-24-34(25-21-33)45-41-16-5-6-17-42(41)53-43-18-7-8-19-44(43)54-49(45)53/h1-30H
InChIKeyRPMRYBRERLPMLB-UHFFFAOYSA-N
XLogP12.67
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.67
H-Bond Donors ≤ 50
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
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
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
11-[3-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole;11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164961112
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[4-dibenzofuran-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162504501
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole
CID 169053891
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 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) is 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole is c1cc(-c2ccc(-c3c4ccccc4n4c3oc3ccccc34)cc2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The InChIKey is RPMRYBRERLPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-3-12-35-29-39(26-22-31(35)10-1)47-50-46(51-48(52-47)40-27-23-32-11-2-4-13-36(32)30-40)38-15-9-14-37(28-38)33-20-24-34(25-21-33)45-41-16-5-6-17-42(41)53-43-18-7-8-19-44(43)54-49(45)53/h1-30H.
What are the key properties of 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole has a molecular weight of 690.81 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 164782486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).