2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane

C46H36S — CID 142424800

IUPAC2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
SMILESC1=Cc2c(c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3c2-c2ccc3sc4ccccc4c3c2)CC1.CC
InChIInChI=1S/C44H30S.C2H6/c1-3-13-29(14-4-1)32-25-33(30-15-5-2-6-16-30)27-34(26-32)44-38-20-9-7-18-36(38)43(37-19-8-10-21-39(37)44)31-23-24-42-40(28-31)35-17-11-12-22-41(35)45-42;1-2/h1-9,11-20,22-28H,10,21H2;1-2H3
InChIKeyARNABXGHMOHAQX-UHFFFAOYSA-N
MW620.86 g/mol
LogP13.86
Rot. Bonds4

About 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane

2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane (PubChem CID 142424800) has the molecular formula C46H36S and a molecular weight of 620.86 g/mol. Its IUPAC name is 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane.

Molecular Properties

Compound Name2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
PubChem CID142424800
Molecular FormulaC46H36S
Molecular Weight620.86 g/mol
Exact Mass620.25
IUPAC Name2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
SMILESC1=Cc2c(c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3c2-c2ccc3sc4ccccc4c3c2)CC1.CC
InChIInChI=1S/C44H30S.C2H6/c1-3-13-29(14-4-1)32-25-33(30-15-5-2-6-16-30)27-34(26-32)44-38-20-9-7-18-36(38)43(37-19-8-10-21-39(37)44)31-23-24-42-40(28-31)35-17-11-12-22-41(35)45-42;1-2/h1-9,11-20,22-28H,10,21H2;1-2H3
InChIKeyARNABXGHMOHAQX-UHFFFAOYSA-N
XLogP13.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.86
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane 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-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
CID 166690149
dimethyl-methylidene-[4-[10-(4-phenylphenyl)-3,4-dihydroanthracen-9-yl]phenyl]-λ5-phosphane
CID 166895339
6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
CID 144578730
2-phenyl-4-(10-phenyl-1,2-dihydroanthracen-9-yl)-2,3-dihydro-[1]benzothiolo[3,2-f][1]benzothiole
CID 174255439
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
4-[4-[10-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3,4-dihydroanthracen-9-yl]phenyl]-8-thiatetracyclo[7.7.0.02,7.011,14]hexadeca-1(9),2(7),3,5,10,14-hexaene
CID 146670353
CID 171583605
CID 171583605
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane?
The IUPAC name of 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane (CID 142424800) is 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane.
What is the SMILES notation for 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane?
The canonical SMILES for 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane is C1=Cc2c(c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3c2-c2ccc3sc4ccccc4c3c2)CC1.CC.
What is the InChIKey of 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane?
The InChIKey is ARNABXGHMOHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30S.C2H6/c1-3-13-29(14-4-1)32-25-33(30-15-5-2-6-16-30)27-34(26-32)44-38-20-9-7-18-36(38)43(37-19-8-10-21-39(37)44)31-23-24-42-40(28-31)35-17-11-12-22-41(35)45-42;1-2/h1-9,11-20,22-28H,10,21H2;1-2H3.
What are the key properties of 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane?
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane has a molecular weight of 620.86 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane is sourced from PubChem (CID 142424800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).