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

C48H33N3S — CID 167349694

IUPAC2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)c21
InChIInChI=1S/C48H33N3S/c1-48(2)41-24-10-8-17-34(41)36-20-12-22-39(43(36)48)46-49-45(50-47(51-46)40-23-13-21-37-35-18-9-11-25-42(35)52-44(37)40)38-19-7-6-16-33(38)32-28-26-31(27-29-32)30-14-4-3-5-15-30/h3-29H,1-2H3
InChIKeyLUKIIAJGSVGHAP-UHFFFAOYSA-N
MW683.88 g/mol
LogP12.88
Rot. Bonds5

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

2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167349694) has the molecular formula C48H33N3S and a molecular weight of 683.88 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167349694
Molecular FormulaC48H33N3S
Molecular Weight683.88 g/mol
Exact Mass683.24
IUPAC Name2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)c21
InChIInChI=1S/C48H33N3S/c1-48(2)41-24-10-8-17-34(41)36-20-12-22-39(43(36)48)46-49-45(50-47(51-46)40-23-13-21-37-35-18-9-11-25-42(35)52-44(37)40)38-19-7-6-16-33(38)32-28-26-31(27-29-32)30-14-4-3-5-15-30/h3-29H,1-2H3
InChIKeyLUKIIAJGSVGHAP-UHFFFAOYSA-N
XLogP12.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.88
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160151
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828284
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 166024803
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(9,9-dimethylfluoren-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 149315249
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2,4-di(dibenzothiophen-4-yl)-6-[4-phenyl-2-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349309
2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
2-[4-(4-dibenzothiophen-4-ylnaphthalen-1-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164942648
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 167349694) is 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)c21.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is LUKIIAJGSVGHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3S/c1-48(2)41-24-10-8-17-34(41)36-20-12-22-39(43(36)48)46-49-45(50-47(51-46)40-23-13-21-37-35-18-9-11-25-42(35)52-44(37)40)38-19-7-6-16-33(38)32-28-26-31(27-29-32)30-14-4-3-5-15-30/h3-29H,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 683.88 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-(9,9-dimethylfluoren-1-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).