2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine

C51H39N3S — CID 163454993

IUPAC2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2C1(C)C
InChIInChI=1S/C51H39N3S/c1-50(2)43-26-23-36(35-19-13-18-34(28-35)32-14-7-5-8-15-32)29-41(43)39-25-22-38(31-44(39)51(50,3)4)49-53-47(33-16-9-6-10-17-33)52-48(54-49)37-24-27-46-42(30-37)40-20-11-12-21-45(40)55-46/h5-31H,1-4H3
InChIKeyBJRFYYXTKISYLE-UHFFFAOYSA-N
MW725.96 g/mol
LogP13.81
Rot. Bonds5

About 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine

2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine (PubChem CID 163454993) has the molecular formula C51H39N3S and a molecular weight of 725.96 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine
PubChem CID163454993
Molecular FormulaC51H39N3S
Molecular Weight725.96 g/mol
Exact Mass725.29
IUPAC Name2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2C1(C)C
InChIInChI=1S/C51H39N3S/c1-50(2)43-26-23-36(35-19-13-18-34(28-35)32-14-7-5-8-15-32)29-41(43)39-25-22-38(31-44(39)51(50,3)4)49-53-47(33-16-9-6-10-17-33)52-48(54-49)37-24-27-46-42(30-37)40-20-11-12-21-45(40)55-46/h5-31H,1-4H3
InChIKeyBJRFYYXTKISYLE-UHFFFAOYSA-N
XLogP13.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.96
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 158464749
2,4-bis(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163871396
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
4-dibenzothiophen-2-yl-6-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168777088
2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 163623400
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585075
4-[3-dibenzothiophen-2-yl-5-(3-phenylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine
CID 171582951
4-[3-dibenzothiophen-2-yl-5-[3-(9-methyl-9-phenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171583096
2-[3-[5-[6-(3-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 175619736
2,4-di(dibenzothiophen-1-yl)-6-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzothiophen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167672147
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine (CID 163454993) is 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine is CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5sc6ccccc6c5c4)n3)cc2C1(C)C.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine?
The InChIKey is BJRFYYXTKISYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3S/c1-50(2)43-26-23-36(35-19-13-18-34(28-35)32-14-7-5-8-15-32)29-41(43)39-25-22-38(31-44(39)51(50,3)4)49-53-47(33-16-9-6-10-17-33)52-48(54-49)37-24-27-46-42(30-37)40-20-11-12-21-45(40)55-46/h5-31H,1-4H3.
What are the key properties of 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine has a molecular weight of 725.96 g/mol, XLogP of 13.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-phenyl-6-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]-1,3,5-triazine is sourced from PubChem (CID 163454993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).