10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol

C37H28O3S2 — CID 177401349

IUPAC10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol
SMILESCOc1ccc(-c2ccc(C(=C3c4ccccc4C(O)c4ccccc43)c3ccc(-c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C37H28O3S2/c1-39-25-15-11-23(12-16-25)31-19-21-33(41-31)36(34-22-20-32(42-34)24-13-17-26(40-2)18-14-24)35-27-7-3-5-9-29(27)37(38)30-10-6-4-8-28(30)35/h3-22,37-38H,1-2H3
InChIKeyGMEOTLARAKNDAM-UHFFFAOYSA-N
MW584.76 g/mol
LogP9.56
Rot. Bonds6

About 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol

10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol (PubChem CID 177401349) has the molecular formula C37H28O3S2 and a molecular weight of 584.76 g/mol. Its IUPAC name is 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol.

Molecular Properties

Compound Name10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol
PubChem CID177401349
Molecular FormulaC37H28O3S2
Molecular Weight584.76 g/mol
Exact Mass584.15
IUPAC Name10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol
SMILESCOc1ccc(-c2ccc(C(=C3c4ccccc4C(O)c4ccccc43)c3ccc(-c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C37H28O3S2/c1-39-25-15-11-23(12-16-25)31-19-21-33(41-31)36(34-22-20-32(42-34)24-13-17-26(40-2)18-14-24)35-27-7-3-5-9-29(27)37(38)30-10-6-4-8-28(30)35/h3-22,37-38H,1-2H3
InChIKeyGMEOTLARAKNDAM-UHFFFAOYSA-N
XLogP9.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.76
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
(3-hydroxyphenyl)-[5-(4-methoxyphenyl)thiophen-2-yl]methanone
CID 56928772
(E)-2-hydroxy-4-[5-(4-methoxyphenyl)thiophen-2-yl]-4-oxobut-2-enoic acid
CID 68591897
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 22350701
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
14-hydroxy-18-methoxy-12-thiapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),4,6,8,15(20),16,18-octaene-3,10,21-trione
CID 144562583
2,3-bis[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 132543251
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460

Frequently Asked Questions

What is the IUPAC name of 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol?
The IUPAC name of 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol (CID 177401349) is 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol.
What is the SMILES notation for 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol?
The canonical SMILES for 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol is COc1ccc(-c2ccc(C(=C3c4ccccc4C(O)c4ccccc43)c3ccc(-c4ccc(OC)cc4)s3)s2)cc1.
What is the InChIKey of 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol?
The InChIKey is GMEOTLARAKNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28O3S2/c1-39-25-15-11-23(12-16-25)31-19-21-33(41-31)36(34-22-20-32(42-34)24-13-17-26(40-2)18-14-24)35-27-7-3-5-9-29(27)37(38)30-10-6-4-8-28(30)35/h3-22,37-38H,1-2H3.
What are the key properties of 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol?
10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol has a molecular weight of 584.76 g/mol, XLogP of 9.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[bis[5-(4-methoxyphenyl)thiophen-2-yl]methylidene]-9H-anthracen-9-ol is sourced from PubChem (CID 177401349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).