4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde

C84H68O6 — CID 102018921

IUPAC4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C=O)cc5)cc(/C=C/c5ccc(C=O)cc5)c4)cc(/C=C/c4cc(/C=C/c5ccc(OC)cc5)cc(/C=C/c5ccc(OC)cc5)c4)c3)c2)cc1
InChIInChI=1S/C84H68O6/c1-87-81-39-31-63(32-40-81)11-21-71-48-72(22-12-64-33-41-82(88-2)42-34-64)53-76(52-71)26-29-79-56-78(28-25-75-50-69(19-9-61-5-15-67(59-85)16-6-61)47-70(51-75)20-10-62-7-17-68(60-86)18-8-62)57-80(58-79)30-27-77-54-73(23-13-65-35-43-83(89-3)44-36-65)49-74(55-77)24-14-66-37-45-84(90-4)46-38-66/h5-60H,1-4H3/b19-9+,20-10+,21-11+,22-12+,23-13+,24-14+,28-25+,29-26+,30-27+
InChIKeyIMPXOYWRSPVQHB-NVKDUVMFSA-N
MW1173.46 g/mol
LogP20.88
Rot. Bonds24

About 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde

4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde (PubChem CID 102018921) has the molecular formula C84H68O6 and a molecular weight of 1173.46 g/mol. Its IUPAC name is 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
PubChem CID102018921
Molecular FormulaC84H68O6
Molecular Weight1173.46 g/mol
Exact Mass1172.50
IUPAC Name4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
SMILESCOc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C=O)cc5)cc(/C=C/c5ccc(C=O)cc5)c4)cc(/C=C/c4cc(/C=C/c5ccc(OC)cc5)cc(/C=C/c5ccc(OC)cc5)c4)c3)c2)cc1
InChIInChI=1S/C84H68O6/c1-87-81-39-31-63(32-40-81)11-21-71-48-72(22-12-64-33-41-82(88-2)42-34-64)53-76(52-71)26-29-79-56-78(28-25-75-50-69(19-9-61-5-15-67(59-85)16-6-61)47-70(51-75)20-10-62-7-17-68(60-86)18-8-62)57-80(58-79)30-27-77-54-73(23-13-65-35-43-83(89-3)44-36-65)49-74(55-77)24-14-66-37-45-84(90-4)46-38-66/h5-60H,1-4H3/b19-9+,20-10+,21-11+,22-12+,23-13+,24-14+,28-25+,29-26+,30-27+
InChIKeyIMPXOYWRSPVQHB-NVKDUVMFSA-N
XLogP20.88
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.46
LogP ≤ 520.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde with MolForge

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Related Compounds

4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde (CID 102018921) is 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde is COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C=O)cc5)cc(/C=C/c5ccc(C=O)cc5)c4)cc(/C=C/c4cc(/C=C/c5ccc(OC)cc5)cc(/C=C/c5ccc(OC)cc5)c4)c3)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde?
The InChIKey is IMPXOYWRSPVQHB-NVKDUVMFSA-N. The full InChI is InChI=1S/C84H68O6/c1-87-81-39-31-63(32-40-81)11-21-71-48-72(22-12-64-33-41-82(88-2)42-34-64)53-76(52-71)26-29-79-56-78(28-25-75-50-69(19-9-61-5-15-67(59-85)16-6-61)47-70(51-75)20-10-62-7-17-68(60-86)18-8-62)57-80(58-79)30-27-77-54-73(23-13-65-35-43-83(89-3)44-36-65)49-74(55-77)24-14-66-37-45-84(90-4)46-38-66/h5-60H,1-4H3/b19-9+,20-10+,21-11+,22-12+,23-13+,24-14+,28-25+,29-26+,30-27+.
What are the key properties of 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde?
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde has a molecular weight of 1173.46 g/mol, XLogP of 20.88, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 102018921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).