2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine

C118H80N6S — CID 163654261

IUPAC2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H39N3S.C59H41N3/c1-6-20-40(21-7-1)55-60-56(41-35-37-54-50(38-41)49-31-17-19-33-53(49)63-54)62-57(61-55)42-34-36-48-47-30-16-18-32-51(47)58(43-22-8-2-9-23-43,44-24-10-3-11-25-44)59(52(48)39-42,45-26-12-4-13-27-45)46-28-14-5-15-29-46;1-7-21-42(22-8-1)43-35-37-45(38-36-43)56-60-55(44-23-9-2-10-24-44)61-57(62-56)46-39-40-52-51-33-19-20-34-53(51)58(47-25-11-3-12-26-47,48-27-13-4-14-28-48)59(54(52)41-46,49-29-15-5-16-30-49)50-31-17-6-18-32-50/h1-39H;1-41H
InChIKeyIOVBYOJOGINXEB-UHFFFAOYSA-N
MW1614.05 g/mol
LogP28.48
Rot. Bonds15

About 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine

2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine (PubChem CID 163654261) has the molecular formula C118H80N6S and a molecular weight of 1614.05 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine
PubChem CID163654261
Molecular FormulaC118H80N6S
Molecular Weight1614.05 g/mol
Exact Mass1612.62
IUPAC Name2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C59H39N3S.C59H41N3/c1-6-20-40(21-7-1)55-60-56(41-35-37-54-50(38-41)49-31-17-19-33-53(49)63-54)62-57(61-55)42-34-36-48-47-30-16-18-32-51(47)58(43-22-8-2-9-23-43,44-24-10-3-11-25-44)59(52(48)39-42,45-26-12-4-13-27-45)46-28-14-5-15-29-46;1-7-21-42(22-8-1)43-35-37-45(38-36-43)56-60-55(44-23-9-2-10-24-44)61-57(62-56)46-39-40-52-51-33-19-20-34-53(51)58(47-25-11-3-12-26-47,48-27-13-4-14-28-48)59(54(52)41-46,49-29-15-5-16-30-49)50-31-17-6-18-32-50/h1-39H;1-41H
InChIKeyIOVBYOJOGINXEB-UHFFFAOYSA-N
XLogP28.48
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.05
LogP ≤ 528.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024935
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
4-dibenzothiophen-2-yl-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602877
4-(4-dibenzothiophen-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603115
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2-dibenzothiophen-2-yl-4-phenyl-6-spiro[benzo[a]phenalene-7,9'-fluorene]-3-yl-1,3,5-triazine
CID 155460644
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971
2-[8-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192267
4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]-6-(9-methyl-9-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602791
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine (CID 163654261) is 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine?
The InChIKey is IOVBYOJOGINXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3S.C59H41N3/c1-6-20-40(21-7-1)55-60-56(41-35-37-54-50(38-41)49-31-17-19-33-53(49)63-54)62-57(61-55)42-34-36-48-47-30-16-18-32-51(47)58(43-22-8-2-9-23-43,44-24-10-3-11-25-44)59(52(48)39-42,45-26-12-4-13-27-45)46-28-14-5-15-29-46;1-7-21-42(22-8-1)43-35-37-45(38-36-43)56-60-55(44-23-9-2-10-24-44)61-57(62-56)46-39-40-52-51-33-19-20-34-53(51)58(47-25-11-3-12-26-47,48-27-13-4-14-28-48)59(54(52)41-46,49-29-15-5-16-30-49)50-31-17-6-18-32-50/h1-39H;1-41H.
What are the key properties of 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine has a molecular weight of 1614.05 g/mol, XLogP of 28.48, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 163654261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).