5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine

C75H66N4O6S2 — CID 88948439

IUPAC5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(/C=C/C=C(\SC)c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)s2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H66N4O6S2/c1-80-67-38-26-58(27-39-67)76(57-18-10-53(11-19-57)54-12-20-59(21-13-54)77(61-28-40-68(81-2)41-29-61)62-30-42-69(82-3)43-31-62)52-8-9-73(86-7)74-50-51-75(87-74)79(66-36-48-72(85-6)49-37-66)65-24-16-56(17-25-65)55-14-22-60(23-15-55)78(63-32-44-70(83-4)45-33-63)64-34-46-71(84-5)47-35-64/h8-52H,1-7H3/b52-8+,73-9-
InChIKeySYGOHPOVSXXLDQ-HBALPOKISA-N
MW1183.51 g/mol
LogP20.60
Rot. Bonds23

About 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine

5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine (PubChem CID 88948439) has the molecular formula C75H66N4O6S2 and a molecular weight of 1183.51 g/mol. Its IUPAC name is 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
PubChem CID88948439
Molecular FormulaC75H66N4O6S2
Molecular Weight1183.51 g/mol
Exact Mass1182.44
IUPAC Name5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine
SMILESCOc1ccc(N(/C=C/C=C(\SC)c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)s2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C75H66N4O6S2/c1-80-67-38-26-58(27-39-67)76(57-18-10-53(11-19-57)54-12-20-59(21-13-54)77(61-28-40-68(81-2)41-29-61)62-30-42-69(82-3)43-31-62)52-8-9-73(86-7)74-50-51-75(87-74)79(66-36-48-72(85-6)49-37-66)65-24-16-56(17-25-65)55-14-22-60(23-15-55)78(63-32-44-70(83-4)45-33-63)64-34-46-71(84-5)47-35-64/h8-52H,1-7H3/b52-8+,73-9-
InChIKeySYGOHPOVSXXLDQ-HBALPOKISA-N
XLogP20.60
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001183.51
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-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-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The IUPAC name of 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine (CID 88948439) is 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The canonical SMILES for 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine is COc1ccc(N(/C=C/C=C(\SC)c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)s2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
The InChIKey is SYGOHPOVSXXLDQ-HBALPOKISA-N. The full InChI is InChI=1S/C75H66N4O6S2/c1-80-67-38-26-58(27-39-67)76(57-18-10-53(11-19-57)54-12-20-59(21-13-54)77(61-28-40-68(81-2)41-29-61)62-30-42-69(82-3)43-31-62)52-8-9-73(86-7)74-50-51-75(87-74)79(66-36-48-72(85-6)49-37-66)65-24-16-56(17-25-65)55-14-22-60(23-15-55)78(63-32-44-70(83-4)45-33-63)64-34-46-71(84-5)47-35-64/h8-52H,1-7H3/b52-8+,73-9-.
What are the key properties of 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine?
5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine has a molecular weight of 1183.51 g/mol, XLogP of 20.60, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3E)-4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-N-(4-methoxyphenyl)anilino]-1-methylsulfanylbuta-1,3-dienyl]-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-(4-methoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 88948439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).