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]-N,N-bis(4-methoxyphenyl)aniline

C58H48N2O4S2 — CID 146393744

IUPAC4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)s5)cc4)s3)cc2)cc1
InChIInChI=1S/C58H48N2O4S2/c1-61-51-27-19-47(20-28-51)59(48-21-29-52(62-2)30-22-48)45-15-11-43(12-16-45)57-39-37-55(65-57)35-9-41-5-7-42(8-6-41)10-36-56-38-40-58(66-56)44-13-17-46(18-14-44)60(49-23-31-53(63-3)32-24-49)50-25-33-54(64-4)34-26-50/h5-40H,1-4H3/b35-9+,36-10+
InChIKeyZCYTUCMRVMEFRW-DCACQNQGSA-N
MW901.17 g/mol
LogP16.46
Rot. Bonds16

About 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]-N,N-bis(4-methoxyphenyl)aniline

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]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 146393744) has the molecular formula C58H48N2O4S2 and a molecular weight of 901.17 g/mol. Its IUPAC name is 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]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID146393744
Molecular FormulaC58H48N2O4S2
Molecular Weight901.17 g/mol
Exact Mass900.31
IUPAC Name4-[5-[(E)-2-[4-[(E)-2-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)s5)cc4)s3)cc2)cc1
InChIInChI=1S/C58H48N2O4S2/c1-61-51-27-19-47(20-28-51)59(48-21-29-52(62-2)30-22-48)45-15-11-43(12-16-45)57-39-37-55(65-57)35-9-41-5-7-42(8-6-41)10-36-56-38-40-58(66-56)44-13-17-46(18-14-44)60(49-23-31-53(63-3)32-24-49)50-25-33-54(64-4)34-26-50/h5-40H,1-4H3/b35-9+,36-10+
InChIKeyZCYTUCMRVMEFRW-DCACQNQGSA-N
XLogP16.46
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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]-N,N-bis(4-methoxyphenyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 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]-N,N-bis(4-methoxyphenyl)aniline (CID 146393744) is 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]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 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]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 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]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(/C=C/c4ccc(/C=C/c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)s5)cc4)s3)cc2)cc1.
What is the InChIKey of 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]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is ZCYTUCMRVMEFRW-DCACQNQGSA-N. The full InChI is InChI=1S/C58H48N2O4S2/c1-61-51-27-19-47(20-28-51)59(48-21-29-52(62-2)30-22-48)45-15-11-43(12-16-45)57-39-37-55(65-57)35-9-41-5-7-42(8-6-41)10-36-56-38-40-58(66-56)44-13-17-46(18-14-44)60(49-23-31-53(63-3)32-24-49)50-25-33-54(64-4)34-26-50/h5-40H,1-4H3/b35-9+,36-10+.
What are the key properties of 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]-N,N-bis(4-methoxyphenyl)aniline?
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]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 901.17 g/mol, XLogP of 16.46, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 146393744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).