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

C74H62N4O6S2 — CID 88558981

IUPAC5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C74H62N4O6S2/c1-79-65-35-23-57(24-36-65)75(58-25-37-66(80-2)38-26-58)55-15-7-51(8-16-55)53-11-19-61(20-12-53)77(63-31-43-69(83-5)44-32-63)73-49-47-71(85-73)72-48-50-74(86-72)78(64-33-45-70(84-6)46-34-64)62-21-13-54(14-22-62)52-9-17-56(18-10-52)76(59-27-39-67(81-3)40-28-59)60-29-41-68(82-4)42-30-60/h7-50H,1-6H3
InChIKeyJSTGLUPWCKGOGM-UHFFFAOYSA-N
MW1167.47 g/mol
LogP20.74
Rot. Bonds21

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

5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine (PubChem CID 88558981) has the molecular formula C74H62N4O6S2 and a molecular weight of 1167.47 g/mol. Its IUPAC name is 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
PubChem CID88558981
Molecular FormulaC74H62N4O6S2
Molecular Weight1167.47 g/mol
Exact Mass1166.41
IUPAC Name5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C74H62N4O6S2/c1-79-65-35-23-57(24-36-65)75(58-25-37-66(80-2)38-26-58)55-15-7-51(8-16-55)53-11-19-61(20-12-53)77(63-31-43-69(83-5)44-32-63)73-49-47-71(85-73)72-48-50-74(86-72)78(64-33-45-70(84-6)46-34-64)62-21-13-54(14-22-62)52-9-17-56(18-10-52)76(59-27-39-67(81-3)40-28-59)60-29-41-68(82-4)42-30-60/h7-50H,1-6H3
InChIKeyJSTGLUPWCKGOGM-UHFFFAOYSA-N
XLogP20.74
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.47
LogP ≤ 520.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The IUPAC name of 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine (CID 88558981) is 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The canonical SMILES for 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1.
What is the InChIKey of 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The InChIKey is JSTGLUPWCKGOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62N4O6S2/c1-79-65-35-23-57(24-36-65)75(58-25-37-66(80-2)38-26-58)55-15-7-51(8-16-55)53-11-19-61(20-12-53)77(63-31-43-69(83-5)44-32-63)73-49-47-71(85-73)72-48-50-74(86-72)78(64-33-45-70(84-6)46-34-64)62-21-13-54(14-22-62)52-9-17-56(18-10-52)76(59-27-39-67(81-3)40-28-59)60-29-41-68(82-4)42-30-60/h7-50H,1-6H3.
What are the key properties of 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine has a molecular weight of 1167.47 g/mol, XLogP of 20.74, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]thiophen-2-yl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 88558981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).