9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene

C39H28S — CID 142424791

IUPAC9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)ccc1Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H28S/c1-27-26-31(22-25-37(27)40-32-23-20-29(21-24-32)28-12-4-2-5-13-28)39-35-18-10-8-16-33(35)38(30-14-6-3-7-15-30)34-17-9-11-19-36(34)39/h2-26H,1H3
InChIKeyYBSKBNCPIXPJIG-UHFFFAOYSA-N
MW528.72 g/mol
LogP11.45
Rot. Bonds5

About 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene

9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene (PubChem CID 142424791) has the molecular formula C39H28S and a molecular weight of 528.72 g/mol. Its IUPAC name is 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene
PubChem CID142424791
Molecular FormulaC39H28S
Molecular Weight528.72 g/mol
Exact Mass528.19
IUPAC Name9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)ccc1Sc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H28S/c1-27-26-31(22-25-37(27)40-32-23-20-29(21-24-32)28-12-4-2-5-13-28)39-35-18-10-8-16-33(35)38(30-14-6-3-7-15-30)34-17-9-11-19-36(34)39/h2-26H,1H3
InChIKeyYBSKBNCPIXPJIG-UHFFFAOYSA-N
XLogP11.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.72
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,9-diphenyl-10-[4-[10-(4-phenylphenyl)sulfanylanthracen-9-yl]phenyl]anthracene
CID 89025419
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
(2-methylphenyl)-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium;phenyl-(4-phenylphenyl)-[4-(4-phenylphenyl)sulfanylphenyl]sulfanium
CID 160622812
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
2,4-dimethyl-1-(4-methylphenyl)sulfanylbenzene
CID 15456660
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-phenyl-10-[3-[3-[4-(4-propan-2-ylphenyl)phenyl]phenyl]phenyl]anthracene
CID 123974546

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene?
The IUPAC name of 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene (CID 142424791) is 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene.
What is the SMILES notation for 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene?
The canonical SMILES for 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene is Cc1cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)ccc1Sc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene?
The InChIKey is YBSKBNCPIXPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28S/c1-27-26-31(22-25-37(27)40-32-23-20-29(21-24-32)28-12-4-2-5-13-28)39-35-18-10-8-16-33(35)38(30-14-6-3-7-15-30)34-17-9-11-19-36(34)39/h2-26H,1H3.
What are the key properties of 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene?
9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene has a molecular weight of 528.72 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene is sourced from PubChem (CID 142424791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).