[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol

C58H48N2O4S2 — CID 158067866

IUPAC[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)s5)cc4)s3)cc2)cc1
InChIInChI=1S/C58H48N2O4S2/c1-63-53-29-25-51(26-30-53)60(52-27-31-54(64-2)32-28-52)50-23-15-46(16-24-50)58-38-36-56(66-58)34-12-42-5-3-41(4-6-42)11-33-55-35-37-57(65-55)45-13-21-49(22-14-45)59(47-17-7-43(39-61)8-18-47)48-19-9-44(40-62)10-20-48/h3-38,61-62H,39-40H2,1-2H3/b33-11+,34-12+
InChIKeyUOZZXPZETVSMTA-QNIRRPGASA-N
MW901.17 g/mol
LogP15.43
Rot. Bonds16

About [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol

[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol (PubChem CID 158067866) has the molecular formula C58H48N2O4S2 and a molecular weight of 901.17 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol
PubChem CID158067866
Molecular FormulaC58H48N2O4S2
Molecular Weight901.17 g/mol
Exact Mass900.31
IUPAC Name[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)s5)cc4)s3)cc2)cc1
InChIInChI=1S/C58H48N2O4S2/c1-63-53-29-25-51(26-30-53)60(52-27-31-54(64-2)32-28-52)50-23-15-46(16-24-50)58-38-36-56(66-58)34-12-42-5-3-41(4-6-42)11-33-55-35-37-57(65-55)45-13-21-49(22-14-45)59(47-17-7-43(39-61)8-18-47)48-19-9-44(40-62)10-20-48/h3-38,61-62H,39-40H2,1-2H3/b33-11+,34-12+
InChIKeyUOZZXPZETVSMTA-QNIRRPGASA-N
XLogP15.43
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 515.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol?
The IUPAC name of [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol (CID 158067866) is [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol.
What is the SMILES notation for [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol?
The canonical SMILES for [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)s5)cc4)s3)cc2)cc1.
What is the InChIKey of [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol?
The InChIKey is UOZZXPZETVSMTA-QNIRRPGASA-N. The full InChI is InChI=1S/C58H48N2O4S2/c1-63-53-29-25-51(26-30-53)60(52-27-31-54(64-2)32-28-52)50-23-15-46(16-24-50)58-38-36-56(66-58)34-12-42-5-3-41(4-6-42)11-33-55-35-37-57(65-55)45-13-21-49(22-14-45)59(47-17-7-43(39-61)8-18-47)48-19-9-44(40-62)10-20-48/h3-38,61-62H,39-40H2,1-2H3/b33-11+,34-12+.
What are the key properties of [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol?
[4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol has a molecular weight of 901.17 g/mol, XLogP of 15.43, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)-N-[4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol is sourced from PubChem (CID 158067866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).