5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine

C36H32N2O4S2 — CID 12966102

IUPAC5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C36H32N2O4S2/c1-39-29-13-5-25(6-14-29)37(26-7-15-30(40-2)16-8-26)35-23-21-33(43-35)34-22-24-36(44-34)38(27-9-17-31(41-3)18-10-27)28-11-19-32(42-4)20-12-28/h5-24H,1-4H3
InChIKeyRBXQJPJNCKDSMF-UHFFFAOYSA-N
MW620.80 g/mol
LogP10.45
Rot. Bonds11

About 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine

5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine (PubChem CID 12966102) has the molecular formula C36H32N2O4S2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine
PubChem CID12966102
Molecular FormulaC36H32N2O4S2
Molecular Weight620.80 g/mol
Exact Mass620.18
IUPAC Name5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)s3)s2)cc1
InChIInChI=1S/C36H32N2O4S2/c1-39-29-13-5-25(6-14-29)37(26-7-15-30(40-2)16-8-26)35-23-21-33(43-35)34-22-24-36(44-34)38(27-9-17-31(41-3)18-10-27)28-11-19-32(42-4)20-12-28/h5-24H,1-4H3
InChIKeyRBXQJPJNCKDSMF-UHFFFAOYSA-N
XLogP10.45
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine?
The IUPAC name of 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine (CID 12966102) is 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine?
The canonical SMILES for 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)s3)s2)cc1.
What is the InChIKey of 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine?
The InChIKey is RBXQJPJNCKDSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4S2/c1-39-29-13-5-25(6-14-29)37(26-7-15-30(40-2)16-8-26)35-23-21-33(43-35)34-22-24-36(44-34)38(27-9-17-31(41-3)18-10-27)28-11-19-32(42-4)20-12-28/h5-24H,1-4H3.
What are the key properties of 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine?
5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine has a molecular weight of 620.80 g/mol, XLogP of 10.45, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)thiophen-2-yl]-N,N-bis(4-methoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 12966102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).