1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol

C34H27NO3S — CID 71023792

IUPAC1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4c(O)ccc5ccccc45)s3)cc2)cc1
InChIInChI=1S/C34H27NO3S/c1-37-28-16-12-26(13-17-28)35(27-14-18-29(38-2)19-15-27)25-10-7-24(8-11-25)32-21-22-33(39-32)34-30-6-4-3-5-23(30)9-20-31(34)36/h3-22,36H,1-2H3
InChIKeyZOTMNPATRXYMHM-UHFFFAOYSA-N
MW529.66 g/mol
LogP9.43
Rot. Bonds7

About 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol

1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol (PubChem CID 71023792) has the molecular formula C34H27NO3S and a molecular weight of 529.66 g/mol. Its IUPAC name is 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol
PubChem CID71023792
Molecular FormulaC34H27NO3S
Molecular Weight529.66 g/mol
Exact Mass529.17
IUPAC Name1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4c(O)ccc5ccccc45)s3)cc2)cc1
InChIInChI=1S/C34H27NO3S/c1-37-28-16-12-26(13-17-28)35(27-14-18-29(38-2)19-15-27)25-10-7-24(8-11-25)32-21-22-33(39-32)34-30-6-4-3-5-23(30)9-20-31(34)36/h3-22,36H,1-2H3
InChIKeyZOTMNPATRXYMHM-UHFFFAOYSA-N
XLogP9.43
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol (CID 71023792) is 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(-c4c(O)ccc5ccccc45)s3)cc2)cc1.
What is the InChIKey of 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol?
The InChIKey is ZOTMNPATRXYMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO3S/c1-37-28-16-12-26(13-17-28)35(27-14-18-29(38-2)19-15-27)25-10-7-24(8-11-25)32-21-22-33(39-32)34-30-6-4-3-5-23(30)9-20-31(34)36/h3-22,36H,1-2H3.
What are the key properties of 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol?
1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol has a molecular weight of 529.66 g/mol, XLogP of 9.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]naphthalen-2-ol is sourced from PubChem (CID 71023792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).