2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C48H33N3OS — CID 170245148

IUPAC2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cc3)c2-c2ccccc21
InChIInChI=1S/C48H33N3OS/c1-48(2)40-19-8-6-15-38(40)43-35(16-11-20-41(43)52-48)32-24-28-34(29-25-32)46-49-45(33-26-22-31(23-27-33)30-12-4-3-5-13-30)50-47(51-46)39-18-10-17-37-36-14-7-9-21-42(36)53-44(37)39/h3-29H,1-2H3
InChIKeyRNHUUIDYKUTSBI-UHFFFAOYSA-N
MW699.88 g/mol
LogP12.87
Rot. Bonds5

About 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170245148) has the molecular formula C48H33N3OS and a molecular weight of 699.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170245148
Molecular FormulaC48H33N3OS
Molecular Weight699.88 g/mol
Exact Mass699.23
IUPAC Name2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cc3)c2-c2ccccc21
InChIInChI=1S/C48H33N3OS/c1-48(2)40-19-8-6-15-38(40)43-35(16-11-20-41(43)52-48)32-24-28-34(29-25-32)46-49-45(33-26-22-31(23-27-33)30-12-4-3-5-13-30)50-47(51-46)39-18-10-17-37-36-14-7-9-21-42(36)53-44(37)39/h3-29H,1-2H3
InChIKeyRNHUUIDYKUTSBI-UHFFFAOYSA-N
XLogP12.87
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.88
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
2,4-di(dibenzothiophen-4-yl)-6-[3,5-diphenyl-2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349096
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442114
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349694
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
4-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585418
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585532

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170245148) is 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)Oc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cc3)c2-c2ccccc21.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RNHUUIDYKUTSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3OS/c1-48(2)40-19-8-6-15-38(40)43-35(16-11-20-41(43)52-48)32-24-28-34(29-25-32)46-49-45(33-26-22-31(23-27-33)30-12-4-3-5-13-30)50-47(51-46)39-18-10-17-37-36-14-7-9-21-42(36)53-44(37)39/h3-29H,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 699.88 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[4-(6,6-dimethylbenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170245148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).