3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene

C30H20S — CID 102231127

IUPAC3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccsc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H20S/c1-2-8-22(9-3-1)29-25-10-4-6-12-27(25)30(28-13-7-5-11-26(28)29)23-16-14-21(15-17-23)24-18-19-31-20-24/h1-20H
InChIKeyKHMAAVMGFZAEPD-UHFFFAOYSA-N
MW412.56 g/mol
LogP9.06
Rot. Bonds3

About 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene

3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene (PubChem CID 102231127) has the molecular formula C30H20S and a molecular weight of 412.56 g/mol. Its IUPAC name is 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene.

Molecular Properties

Compound Name3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene
PubChem CID102231127
Molecular FormulaC30H20S
Molecular Weight412.56 g/mol
Exact Mass412.13
IUPAC Name3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccsc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C30H20S/c1-2-8-22(9-3-1)29-25-10-4-6-12-27(25)30(28-13-7-5-11-26(28)29)23-16-14-21(15-17-23)24-18-19-31-20-24/h1-20H
InChIKeyKHMAAVMGFZAEPD-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.56
LogP ≤ 59.06
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

3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
cyclopenta[c]thiopyran
CID 584139
3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
3-[10-[9-(10-phenylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]thiophene
CID 157215852
CID 143321579
CID 143321579
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane
CID 129174523
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577

Frequently Asked Questions

What is the IUPAC name of 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene?
The IUPAC name of 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene (CID 102231127) is 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene.
What is the SMILES notation for 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene?
The canonical SMILES for 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccsc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene?
The InChIKey is KHMAAVMGFZAEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20S/c1-2-8-22(9-3-1)29-25-10-4-6-12-27(25)30(28-13-7-5-11-26(28)29)23-16-14-21(15-17-23)24-18-19-31-20-24/h1-20H.
What are the key properties of 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene?
3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene has a molecular weight of 412.56 g/mol, XLogP of 9.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(10-phenylanthracen-9-yl)phenyl]thiophene is sourced from PubChem (CID 102231127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).