5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene

C38H30O2S2 — CID 102083532

IUPAC5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene
SMILESCOc1ccc(-c2cc(-c3c(-c4cc(-c5ccc(OC)cc5)sc4C)c4ccccc4c4ccccc34)c(C)s2)cc1
InChIInChI=1S/C38H30O2S2/c1-23-33(21-35(41-23)25-13-17-27(39-3)18-14-25)37-31-11-7-5-9-29(31)30-10-6-8-12-32(30)38(37)34-22-36(42-24(34)2)26-15-19-28(40-4)20-16-26/h5-22H,1-4H3
InChIKeyHAKMVPHRPUANMF-UHFFFAOYSA-N
MW582.79 g/mol
LogP11.42
Rot. Bonds6

About 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene

5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene (PubChem CID 102083532) has the molecular formula C38H30O2S2 and a molecular weight of 582.79 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene
PubChem CID102083532
Molecular FormulaC38H30O2S2
Molecular Weight582.79 g/mol
Exact Mass582.17
IUPAC Name5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene
SMILESCOc1ccc(-c2cc(-c3c(-c4cc(-c5ccc(OC)cc5)sc4C)c4ccccc4c4ccccc34)c(C)s2)cc1
InChIInChI=1S/C38H30O2S2/c1-23-33(21-35(41-23)25-13-17-27(39-3)18-14-25)37-31-11-7-5-9-29(31)30-10-6-8-12-32(30)38(37)34-22-36(42-24(34)2)26-15-19-28(40-4)20-16-26/h5-22H,1-4H3
InChIKeyHAKMVPHRPUANMF-UHFFFAOYSA-N
XLogP11.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-5-[10-[5-(4-methoxyphenyl)thiophen-2-yl]anthracen-9-yl]thiophene
CID 151477310
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)anthracene
CID 11523963
3,5-bis(4-methoxyphenyl)-2-phenylsulfanylthiophene
CID 54347611
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
2-methyl-3-[2-(2-methyl-5-phenylthiophen-3-yl)phenyl]-5-phenylthiophene
CID 90888254
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1-benzothiophene
CID 102299533
3-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1-benzothiophene
CID 71608240
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-3-methyl-1-benzothiophene
CID 102212121
5-(4-bromophenyl)-2-methyl-3-phenylthiophene
CID 156768567

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene?
The IUPAC name of 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene (CID 102083532) is 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene is COc1ccc(-c2cc(-c3c(-c4cc(-c5ccc(OC)cc5)sc4C)c4ccccc4c4ccccc34)c(C)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene?
The InChIKey is HAKMVPHRPUANMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2S2/c1-23-33(21-35(41-23)25-13-17-27(39-3)18-14-25)37-31-11-7-5-9-29(31)30-10-6-8-12-32(30)38(37)34-22-36(42-24(34)2)26-15-19-28(40-4)20-16-26/h5-22H,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene?
5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene has a molecular weight of 582.79 g/mol, XLogP of 11.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[10-[5-(4-methoxyphenyl)-2-methylthiophen-3-yl]phenanthren-9-yl]-2-methylthiophene is sourced from PubChem (CID 102083532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).