[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

C86H66N4O4 — CID 118642802

IUPAC[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)c2ccc(OC)c(C(=C=Nc3ccccc3)c3ccccc3)c2)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C86H66N4O4/c1-93-83-49-47-67(53-77(83)81(63-31-15-5-16-32-63)57-89-73-39-23-9-24-40-73)85(65-43-45-69(59-91)75(51-65)79(61-27-11-3-12-28-61)55-87-71-35-19-7-20-36-71)86(66-44-46-70(60-92)76(52-66)80(62-29-13-4-14-30-62)56-88-72-37-21-8-22-38-72)68-48-50-84(94-2)78(54-68)82(64-33-17-6-18-34-64)58-90-74-41-25-10-26-42-74/h3-54,85-86,91-92H,59-60H2,1-2H3
InChIKeyIDMMOJUQIQLEQO-UHFFFAOYSA-N
MW1219.50 g/mol
LogP19.38
Rot. Bonds21

About [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol

[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (PubChem CID 118642802) has the molecular formula C86H66N4O4 and a molecular weight of 1219.50 g/mol. Its IUPAC name is [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
PubChem CID118642802
Molecular FormulaC86H66N4O4
Molecular Weight1219.50 g/mol
Exact Mass1218.51
IUPAC Name[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
SMILESCOc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)c2ccc(OC)c(C(=C=Nc3ccccc3)c3ccccc3)c2)cc1C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C86H66N4O4/c1-93-83-49-47-67(53-77(83)81(63-31-15-5-16-32-63)57-89-73-39-23-9-24-40-73)85(65-43-45-69(59-91)75(51-65)79(61-27-11-3-12-28-61)55-87-71-35-19-7-20-36-71)86(66-44-46-70(60-92)76(52-66)80(62-29-13-4-14-30-62)56-88-72-37-21-8-22-38-72)68-48-50-84(94-2)78(54-68)82(64-33-17-6-18-34-64)58-90-74-41-25-10-26-42-74/h3-54,85-86,91-92H,59-60H2,1-2H3
InChIKeyIDMMOJUQIQLEQO-UHFFFAOYSA-N
XLogP19.38
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.50
LogP ≤ 519.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol with MolForge

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Related Compounds

[4-[1-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1-phenylethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
CID 118642786
[4-[9-[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]fluoren-9-yl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
CID 118642783
2-[2-methoxy-5-(2,2,4-trimethylpentoxy)phenyl]-N,2-diphenylethenimine
CID 144704032
2,2-bis[2-methoxy-5-(2-phenylpropan-2-yl)phenyl]-N-phenylethenimine
CID 118642792
2-[5-[2-[4-[1,1-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]phenyl]propan-2-yl]-2-methoxyphenyl]-N,2-diphenylethenimine;[3,5-dimethoxy-2,4,6-tris(1-phenyl-2-phenyliminoethenyl)phenyl]methanol;[5-methoxy-2,4-bis(1-phenyl-2-phenyliminoethenyl)phenyl]methanol;[2-[2-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-6-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol
CID 160692486
2-(2,5-diphenoxyphenyl)-N,2-diphenylethenimine
CID 118642834
aniline;2-[5-[9-(3-benzyl-4-methoxyphenyl)fluoren-9-yl]-2-methoxyphenyl]-N,2-diphenylethenimine
CID 144704007
2-[2-methoxy-4-[3-[3-methoxy-4-[2-[(3E)-penta-1,3-dien-3-yl]imino-1-phenylethenyl]phenoxy]-2,2-bis[[3-methoxy-4-[2-[(3E)-penta-1,3-dien-3-yl]imino-1-phenylethenyl]phenoxy]methyl]propoxy]phenyl]-N,2-diphenylethenimine
CID 158467010
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(2-(111C)methoxyphenyl)methanol
CID 59897789
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
[4-methoxy-3-phenyl-2-(trifluoromethyl)phenyl]methanol
CID 91500100

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The IUPAC name of [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol (CID 118642802) is [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol.
What is the SMILES notation for [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The canonical SMILES for [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is COc1ccc(C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)C(c2ccc(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2)c2ccc(OC)c(C(=C=Nc3ccccc3)c3ccccc3)c2)cc1C(=C=Nc1ccccc1)c1ccccc1.
What is the InChIKey of [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
The InChIKey is IDMMOJUQIQLEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H66N4O4/c1-93-83-49-47-67(53-77(83)81(63-31-15-5-16-32-63)57-89-73-39-23-9-24-40-73)85(65-43-45-69(59-91)75(51-65)79(61-27-11-3-12-28-61)55-87-71-35-19-7-20-36-71)86(66-44-46-70(60-92)76(52-66)80(62-29-13-4-14-30-62)56-88-72-37-21-8-22-38-72)68-48-50-84(94-2)78(54-68)82(64-33-17-6-18-34-64)58-90-74-41-25-10-26-42-74/h3-54,85-86,91-92H,59-60H2,1-2H3.
What are the key properties of [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol?
[4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol has a molecular weight of 1219.50 g/mol, XLogP of 19.38, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(hydroxymethyl)-3-(1-phenyl-2-phenyliminoethenyl)phenyl]-1,2-bis[4-methoxy-3-(1-phenyl-2-phenyliminoethenyl)phenyl]ethyl]-2-(1-phenyl-2-phenyliminoethenyl)phenyl]methanol is sourced from PubChem (CID 118642802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).