4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline

C88H74N4O8S2 — CID 102236067

IUPAC4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)sc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)cc2)cc1
InChIInChI=1S/C88H74N4O8S2/c1-93-75-41-25-67(26-42-75)89(68-27-43-76(94-2)44-28-68)63-17-9-59(10-18-63)85-57-83(87(101-85)61-13-21-65(22-14-61)91(71-33-49-79(97-5)50-34-71)72-35-51-80(98-6)52-36-72)84-58-86(60-11-19-64(20-12-60)90(69-29-45-77(95-3)46-30-69)70-31-47-78(96-4)48-32-70)102-88(84)62-15-23-66(24-16-62)92(73-37-53-81(99-7)54-38-73)74-39-55-82(100-8)56-40-74/h9-58H,1-8H3
InChIKeyPAHVFCPCPUCPKE-UHFFFAOYSA-N
MW1379.71 g/mol
LogP24.09
Rot. Bonds25

About 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline

4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 102236067) has the molecular formula C88H74N4O8S2 and a molecular weight of 1379.71 g/mol. Its IUPAC name is 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID102236067
Molecular FormulaC88H74N4O8S2
Molecular Weight1379.71 g/mol
Exact Mass1378.49
IUPAC Name4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)sc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)cc2)cc1
InChIInChI=1S/C88H74N4O8S2/c1-93-75-41-25-67(26-42-75)89(68-27-43-76(94-2)44-28-68)63-17-9-59(10-18-63)85-57-83(87(101-85)61-13-21-65(22-14-61)91(71-33-49-79(97-5)50-34-71)72-35-51-80(98-6)52-36-72)84-58-86(60-11-19-64(20-12-60)90(69-29-45-77(95-3)46-30-69)70-31-47-78(96-4)48-32-70)102-88(84)62-15-23-66(24-16-62)92(73-37-53-81(99-7)54-38-73)74-39-55-82(100-8)56-40-74/h9-58H,1-8H3
InChIKeyPAHVFCPCPUCPKE-UHFFFAOYSA-N
XLogP24.09
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.71
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]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-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline (CID 102236067) is 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(-c4cc(-c5ccc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)cc5)sc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)c(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)s3)cc2)cc1.
What is the InChIKey of 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is PAHVFCPCPUCPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H74N4O8S2/c1-93-75-41-25-67(26-42-75)89(68-27-43-76(94-2)44-28-68)63-17-9-59(10-18-63)85-57-83(87(101-85)61-13-21-65(22-14-61)91(71-33-49-79(97-5)50-34-71)72-35-51-80(98-6)52-36-72)84-58-86(60-11-19-64(20-12-60)90(69-29-45-77(95-3)46-30-69)70-31-47-78(96-4)48-32-70)102-88(84)62-15-23-66(24-16-62)92(73-37-53-81(99-7)54-38-73)74-39-55-82(100-8)56-40-74/h9-58H,1-8H3.
What are the key properties of 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline?
4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 1379.71 g/mol, XLogP of 24.09, 25 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,5-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-3-yl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 102236067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).