2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene

C38H30S — CID 155028341

IUPAC2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
SMILESC1=CC(c2c3ccccc3c(C3=CCCC(c4ccccc4)C3)c3ccccc23)Cc2c1sc1ccccc21
InChIInChI=1S/C38H30S/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36/h1-9,11-12,14-22,26,28H,10,13,23-24H2
InChIKeyGRMAQJXDUXCFGE-UHFFFAOYSA-N
MW518.73 g/mol
LogP10.91
Rot. Bonds3

About 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene

2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene (PubChem CID 155028341) has the molecular formula C38H30S and a molecular weight of 518.73 g/mol. Its IUPAC name is 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene.

Molecular Properties

Compound Name2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
PubChem CID155028341
Molecular FormulaC38H30S
Molecular Weight518.73 g/mol
Exact Mass518.21
IUPAC Name2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene
SMILESC1=CC(c2c3ccccc3c(C3=CCCC(c4ccccc4)C3)c3ccccc23)Cc2c1sc1ccccc21
InChIInChI=1S/C38H30S/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36/h1-9,11-12,14-22,26,28H,10,13,23-24H2
InChIKeyGRMAQJXDUXCFGE-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene 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

2-bromo-1,2-dihydrodibenzothiophene
CID 135176935
2-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 130254123
1-bromo-1,2-dihydrodibenzothiophene
CID 139551326
4-[8-(2-carbazol-9-ylphenyl)-8,9-dihydrodibenzothiophen-2-yl]cyclohexa-1,5-dien-1-amine
CID 139565912
10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,14,16,18-octaene
CID 118650281
5-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,9-dimethyl-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,7,11,13,15(23),17,19,21-decaene
CID 163559245
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-(1,2-dihydrodibenzothiophen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741701
2-(2,8-dihydro-1H-cyclohepta[b]indol-5-yl)-3-[4-(1,2-dihydrodibenzothiophen-2-yl)phenyl]benzonitrile
CID 163949671
ethane;8-thiatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene
CID 171099983
N-(1,2-dihydrodibenzothiophen-2-yl)-9,9-dimethyl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21-decaen-22-amine
CID 170406128
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
2-phenyl-4-(10-phenyl-1,2-dihydroanthracen-9-yl)-2,3-dihydro-[1]benzothiolo[3,2-f][1]benzothiole
CID 174255439

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene?
The IUPAC name of 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene (CID 155028341) is 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene.
What is the SMILES notation for 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene?
The canonical SMILES for 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene is C1=CC(c2c3ccccc3c(C3=CCCC(c4ccccc4)C3)c3ccccc23)Cc2c1sc1ccccc21.
What is the InChIKey of 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene?
The InChIKey is GRMAQJXDUXCFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30S/c1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36/h1-9,11-12,14-22,26,28H,10,13,23-24H2.
What are the key properties of 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene?
2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene has a molecular weight of 518.73 g/mol, XLogP of 10.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5-phenylcyclohexen-1-yl)anthracen-9-yl]-1,2-dihydrodibenzothiophene is sourced from PubChem (CID 155028341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).