3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene

C39H28OS — CID 177298575

IUPAC3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4sc4ccccc45)c3)ccc21
InChIInChI=1S/C39H28OS/c1-39(2)33-16-7-8-17-35(33)40-36-24-26(19-20-34(36)39)28-21-27(25-11-4-3-5-12-25)22-29(23-28)30-14-10-15-32-31-13-6-9-18-37(31)41-38(30)32/h3-24H,1-2H3
InChIKeyDHXQCBGZOAVVKR-UHFFFAOYSA-N
MW544.72 g/mol
LogP11.49
Rot. Bonds3

About 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene

3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene (PubChem CID 177298575) has the molecular formula C39H28OS and a molecular weight of 544.72 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
PubChem CID177298575
Molecular FormulaC39H28OS
Molecular Weight544.72 g/mol
Exact Mass544.19
IUPAC Name3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4sc4ccccc45)c3)ccc21
InChIInChI=1S/C39H28OS/c1-39(2)33-16-7-8-17-35(33)40-36-24-26(19-20-34(36)39)28-21-27(25-11-4-3-5-12-25)22-29(23-28)30-14-10-15-32-31-13-6-9-18-37(31)41-38(30)32/h3-24H,1-2H3
InChIKeyDHXQCBGZOAVVKR-UHFFFAOYSA-N
XLogP11.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.72
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177298182
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
3-(5-dibenzothiophen-4-ylfuran-2-yl)-9,9-diphenylxanthene
CID 177297791
6-[14-dibenzothiophen-4-yl-9,9,18,18,27,27-hexamethyl-23-(8-phenyldibenzothiophen-4-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-2-phenyldibenzothiophene
CID 126608487
3'-(5-dibenzothiophen-4-ylfuran-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177298908
1-(3-dibenzothiophen-4-yl-5-triphenylen-2-ylphenyl)dibenzo-p-dioxin
CID 129224080
3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
CID 166679254
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
12-(3-dibenzothiophen-4-yl-5-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177299097
4-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171585418

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene?
The IUPAC name of 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene (CID 177298575) is 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene.
What is the SMILES notation for 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene?
The canonical SMILES for 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2cc(-c3cc(-c4ccccc4)cc(-c4cccc5c4sc4ccccc45)c3)ccc21.
What is the InChIKey of 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene?
The InChIKey is DHXQCBGZOAVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28OS/c1-39(2)33-16-7-8-17-35(33)40-36-24-26(19-20-34(36)39)28-21-27(25-11-4-3-5-12-25)22-29(23-28)30-14-10-15-32-31-13-6-9-18-37(31)41-38(30)32/h3-24H,1-2H3.
What are the key properties of 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene?
3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene has a molecular weight of 544.72 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethylxanthene is sourced from PubChem (CID 177298575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).