3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde

C86H46O2 — CID 101271988

IUPAC3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde
SMILESO=Cc1cccc(C#Cc2cccc(C#Cc3cccc(C#Cc4cccc(C#Cc5ccc6ccccc6c5-c5c(C#Cc6cccc(C#Cc7cccc(C#Cc8cccc(C#Cc9cccc(C=O)c9)c8)c7)c6)ccc6ccccc56)c4)c3)c2)c1
InChIInChI=1S/C86H46O2/c87-61-77-27-11-25-73(59-77)43-41-69-19-7-17-65(55-69)35-33-63-13-5-15-67(53-63)37-39-71-21-9-23-75(57-71)45-47-81-51-49-79-29-1-3-31-83(79)85(81)86-82(52-50-80-30-2-4-32-84(80)86)48-46-76-24-10-22-72(58-76)40-38-68-16-6-14-64(54-68)34-36-66-18-8-20-70(56-66)42-44-74-26-12-28-78(60-74)62-88/h1-32,49-62H
InChIKeyLYZLIRASVXJEJR-UHFFFAOYSA-N
MW1111.31 g/mol
LogP16.48
Rot. Bonds3

About 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde

3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde (PubChem CID 101271988) has the molecular formula C86H46O2 and a molecular weight of 1111.31 g/mol. Its IUPAC name is 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde
PubChem CID101271988
Molecular FormulaC86H46O2
Molecular Weight1111.31 g/mol
Exact Mass1110.35
IUPAC Name3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde
SMILESO=Cc1cccc(C#Cc2cccc(C#Cc3cccc(C#Cc4cccc(C#Cc5ccc6ccccc6c5-c5c(C#Cc6cccc(C#Cc7cccc(C#Cc8cccc(C#Cc9cccc(C=O)c9)c8)c7)c6)ccc6ccccc56)c4)c3)c2)c1
InChIInChI=1S/C86H46O2/c87-61-77-27-11-25-73(59-77)43-41-69-19-7-17-65(55-69)35-33-63-13-5-15-67(53-63)37-39-71-21-9-23-75(57-71)45-47-81-51-49-79-29-1-3-31-83(79)85(81)86-82(52-50-80-30-2-4-32-84(80)86)48-46-76-24-10-22-72(58-76)40-38-68-16-6-14-64(54-68)34-36-66-18-8-20-70(56-66)42-44-74-26-12-28-78(60-74)62-88/h1-32,49-62H
InChIKeyLYZLIRASVXJEJR-UHFFFAOYSA-N
XLogP16.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001111.31
LogP ≤ 516.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde with MolForge

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Related Compounds

3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
CID 163197805
6-amino-5-[2-(3-formylphenyl)ethynyl]pyridine-3-carboxylic acid
CID 155420261
2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene
CID 54768485
3-ethynylbenzaldehyde
CID 2771644
3-formylbenzonitrile;propanal
CID 174810300
1-[2-(3-fluorophenyl)ethynyl]naphthalene
CID 171990074
1,2,7-tris(2-phenylethynyl)naphthalene
CID 86009287
3-[2-(5-oxo-1,2,3,4-tetrahydro-1,4-benzodiazepin-9-yl)ethynyl]benzaldehyde
CID 11483142
(3-formylphenyl)-phenyliodanium bromide
CID 53495995
methyl 3-(3-formylphenyl)prop-2-ynoate
CID 122242925
1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
CID 88533868

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde?
The IUPAC name of 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde (CID 101271988) is 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde.
What is the SMILES notation for 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde?
The canonical SMILES for 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde is O=Cc1cccc(C#Cc2cccc(C#Cc3cccc(C#Cc4cccc(C#Cc5ccc6ccccc6c5-c5c(C#Cc6cccc(C#Cc7cccc(C#Cc8cccc(C#Cc9cccc(C=O)c9)c8)c7)c6)ccc6ccccc56)c4)c3)c2)c1.
What is the InChIKey of 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde?
The InChIKey is LYZLIRASVXJEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H46O2/c87-61-77-27-11-25-73(59-77)43-41-69-19-7-17-65(55-69)35-33-63-13-5-15-67(53-63)37-39-71-21-9-23-75(57-71)45-47-81-51-49-79-29-1-3-31-83(79)85(81)86-82(52-50-80-30-2-4-32-84(80)86)48-46-76-24-10-22-72(58-76)40-38-68-16-6-14-64(54-68)34-36-66-18-8-20-70(56-66)42-44-74-26-12-28-78(60-74)62-88/h1-32,49-62H.
What are the key properties of 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde?
3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde has a molecular weight of 1111.31 g/mol, XLogP of 16.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[2-[3-[2-[3-[2-[1-[2-[2-[3-[2-[3-[2-[3-[2-(3-formylphenyl)ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]naphthalen-1-yl]naphthalen-2-yl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzaldehyde is sourced from PubChem (CID 101271988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).