(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene

C72H56O8 — CID 101073094

IUPAC(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
SMILESCOc1ccc(C#CC2=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C(c3ccc(OC)cc3)\C(C#Cc3ccc(OC)cc3)=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C\2c2ccc(OC)cc2)cc1
InChIInChI=1S/C72H56O8/c1-73-57-29-9-49(10-30-57)17-45-65-66(46-18-50-11-31-58(74-2)32-12-50)70(54-23-39-62(78-6)40-24-54)72(56-27-43-64(80-8)44-28-56)68(48-20-52-15-35-60(76-4)36-16-52)67(47-19-51-13-33-59(75-3)34-14-51)71(55-25-41-63(79-7)42-26-55)69(65)53-21-37-61(77-5)38-22-53/h9-16,21-44H,1-8H3/b66-65-,68-67-,69-65-,70-66-,71-67-,71-69-,72-68-,72-70-
InChIKeyWNROYWMGOASBQX-PAIQDQGJSA-N
MW1049.23 g/mol
LogP14.09
Rot. Bonds12

About (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene

(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene (PubChem CID 101073094) has the molecular formula C72H56O8 and a molecular weight of 1049.23 g/mol. Its IUPAC name is (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
PubChem CID101073094
Molecular FormulaC72H56O8
Molecular Weight1049.23 g/mol
Exact Mass1048.40
IUPAC Name(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
SMILESCOc1ccc(C#CC2=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C(c3ccc(OC)cc3)\C(C#Cc3ccc(OC)cc3)=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C\2c2ccc(OC)cc2)cc1
InChIInChI=1S/C72H56O8/c1-73-57-29-9-49(10-30-57)17-45-65-66(46-18-50-11-31-58(74-2)32-12-50)70(54-23-39-62(78-6)40-24-54)72(56-27-43-64(80-8)44-28-56)68(48-20-52-15-35-60(76-4)36-16-52)67(47-19-51-13-33-59(75-3)34-14-51)71(55-25-41-63(79-7)42-26-55)69(65)53-21-37-61(77-5)38-22-53/h9-16,21-44H,1-8H3/b66-65-,68-67-,69-65-,70-66-,71-67-,71-69-,72-68-,72-70-
InChIKeyWNROYWMGOASBQX-PAIQDQGJSA-N
XLogP14.09
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.23
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
CID 101413036
1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
N-(4-methoxyphenyl)-N-[4-[2-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]ethynyl]phenyl]-4-methylaniline
CID 18996688
2-methoxy-5-[2-(4-methoxyphenyl)ethynyl]cyclohepta-2,4,6-trien-1-one
CID 102256695
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2,6-difluoro-4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]benzonitrile
CID 59698412
2,6-bis[2-(4-methoxyphenyl)ethynyl]-1-methylpyridin-1-ium
CID 71606234
1,4-dibromo-2,5-bis[2-(4-methoxyphenyl)ethynyl]-3,6-dimethylbenzene
CID 59356855

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene?
The IUPAC name of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene (CID 101073094) is (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene.
What is the SMILES notation for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene?
The canonical SMILES for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene is COc1ccc(C#CC2=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C(c3ccc(OC)cc3)\C(C#Cc3ccc(OC)cc3)=C(C#Cc3ccc(OC)cc3)/C(c3ccc(OC)cc3)=C\2c2ccc(OC)cc2)cc1.
What is the InChIKey of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene?
The InChIKey is WNROYWMGOASBQX-PAIQDQGJSA-N. The full InChI is InChI=1S/C72H56O8/c1-73-57-29-9-49(10-30-57)17-45-65-66(46-18-50-11-31-58(74-2)32-12-50)70(54-23-39-62(78-6)40-24-54)72(56-27-43-64(80-8)44-28-56)68(48-20-52-15-35-60(76-4)36-16-52)67(47-19-51-13-33-59(75-3)34-14-51)71(55-25-41-63(79-7)42-26-55)69(65)53-21-37-61(77-5)38-22-53/h9-16,21-44H,1-8H3/b66-65-,68-67-,69-65-,70-66-,71-67-,71-69-,72-68-,72-70-.
What are the key properties of (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene?
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene has a molecular weight of 1049.23 g/mol, XLogP of 14.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 101073094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).