2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene

C35H24S2 — CID 58876225

IUPAC2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)cc2)c2ccccc12
InChIInChI=1S/C35H24S2/c1-23-27-11-5-7-13-29(27)35(30-14-8-6-12-28(23)30)26-17-15-25(16-18-26)32-20-22-34(37-32)33-21-19-31(36-33)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyLGSXPVIZROESPS-UHFFFAOYSA-N
MW508.71 g/mol
LogP11.09
Rot. Bonds4

About 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene

2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene (PubChem CID 58876225) has the molecular formula C35H24S2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
PubChem CID58876225
Molecular FormulaC35H24S2
Molecular Weight508.71 g/mol
Exact Mass508.13
IUPAC Name2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
SMILESCc1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)cc2)c2ccccc12
InChIInChI=1S/C35H24S2/c1-23-27-11-5-7-13-29(27)35(30-14-8-6-12-28(23)30)26-17-15-25(16-18-26)32-20-22-34(37-32)33-21-19-31(36-33)24-9-3-2-4-10-24/h2-22H,1H3
InChIKeyLGSXPVIZROESPS-UHFFFAOYSA-N
XLogP11.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2,9-dimethyl-10-phenylanthracene
CID 58435289
9-methyl-10-(3-phenylphenyl)anthracene
CID 58599979
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
CID 102473044
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene?
The IUPAC name of 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene (CID 58876225) is 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene?
The canonical SMILES for 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene is Cc1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)s4)s3)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene?
The InChIKey is LGSXPVIZROESPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24S2/c1-23-27-11-5-7-13-29(27)35(30-14-8-6-12-28(23)30)26-17-15-25(16-18-26)32-20-22-34(37-32)33-21-19-31(36-33)24-9-3-2-4-10-24/h2-22H,1H3.
What are the key properties of 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene?
2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene has a molecular weight of 508.71 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene is sourced from PubChem (CID 58876225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).