[4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol

C98H82N4O8S2 — CID 157441619

IUPAC[4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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(-c3cc(-c4ccc(N(c5ccc(CO)cc5)c5ccc(OC)cc5)cc4)c(/C=C/c4ccc(/C=C/c5sc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)cc5-c5ccc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)cc5)cc4)s3)cc2)cc1
InChIInChI=1S/C98H82N4O8S2/c1-107-89-51-43-85(44-52-89)100(79-31-13-71(65-105)14-32-79)81-35-19-73(20-36-81)93-61-97(75-23-39-83(40-24-75)99(77-27-9-69(63-103)10-28-77)78-29-11-70(64-104)12-30-78)111-95(93)59-17-67-5-7-68(8-6-67)18-60-96-94(74-21-37-82(38-22-74)101(80-33-15-72(66-106)16-34-80)86-45-53-90(108-2)54-46-86)62-98(112-96)76-25-41-84(42-26-76)102(87-47-55-91(109-3)56-48-87)88-49-57-92(110-4)58-50-88/h5-62,103-106H,63-66H2,1-4H3/b59-17+,60-18+
InChIKeyWETBMZCHKIVNPR-VHONKACGSA-N
MW1507.89 g/mol
LogP24.70
Rot. Bonds28

About [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol (PubChem CID 157441619) has the molecular formula C98H82N4O8S2 and a molecular weight of 1507.89 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol
PubChem CID157441619
Molecular FormulaC98H82N4O8S2
Molecular Weight1507.89 g/mol
Exact Mass1506.56
IUPAC Name[4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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(-c3cc(-c4ccc(N(c5ccc(CO)cc5)c5ccc(OC)cc5)cc4)c(/C=C/c4ccc(/C=C/c5sc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)cc5-c5ccc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)cc5)cc4)s3)cc2)cc1
InChIInChI=1S/C98H82N4O8S2/c1-107-89-51-43-85(44-52-89)100(79-31-13-71(65-105)14-32-79)81-35-19-73(20-36-81)93-61-97(75-23-39-83(40-24-75)99(77-27-9-69(63-103)10-28-77)78-29-11-70(64-104)12-30-78)111-95(93)59-17-67-5-7-68(8-6-67)18-60-96-94(74-21-37-82(38-22-74)101(80-33-15-72(66-106)16-34-80)86-45-53-90(108-2)54-46-86)62-98(112-96)76-25-41-84(42-26-76)102(87-47-55-91(109-3)56-48-87)88-49-57-92(110-4)58-50-88/h5-62,103-106H,63-66H2,1-4H3/b59-17+,60-18+
InChIKeyWETBMZCHKIVNPR-VHONKACGSA-N
XLogP24.70
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001507.89
LogP ≤ 524.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]ethenyl]phenyl]ethenyl]thiophen-2-yl]phenyl]anilino]phenyl]methanol (CID 157441619) is [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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(-c3cc(-c4ccc(N(c5ccc(CO)cc5)c5ccc(OC)cc5)cc4)c(/C=C/c4ccc(/C=C/c5sc(-c6ccc(N(c7ccc(CO)cc7)c7ccc(CO)cc7)cc6)cc5-c5ccc(N(c6ccc(CO)cc6)c6ccc(OC)cc6)cc5)cc4)s3)cc2)cc1.
What is the InChIKey of [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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 WETBMZCHKIVNPR-VHONKACGSA-N. The full InChI is InChI=1S/C98H82N4O8S2/c1-107-89-51-43-85(44-52-89)100(79-31-13-71(65-105)14-32-79)81-35-19-73(20-36-81)93-61-97(75-23-39-83(40-24-75)99(77-27-9-69(63-103)10-28-77)78-29-11-70(64-104)12-30-78)111-95(93)59-17-67-5-7-68(8-6-67)18-60-96-94(74-21-37-82(38-22-74)101(80-33-15-72(66-106)16-34-80)86-45-53-90(108-2)54-46-86)62-98(112-96)76-25-41-84(42-26-76)102(87-47-55-91(109-3)56-48-87)88-49-57-92(110-4)58-50-88/h5-62,103-106H,63-66H2,1-4H3/b59-17+,60-18+.
What are the key properties of [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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 1507.89 g/mol, XLogP of 24.70, 28 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)-N-[4-[4-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-5-[(E)-2-[4-[(E)-2-[3-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-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 157441619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).