(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile

C73H52N2O2 — CID 132937795

IUPAC(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(/C(=C(\c3ccccc3)c3ccc4c(c3)Cc3cc(/C(=C(\c5ccccc5)c5ccc(/C=C(\C#N)c6ccc(OC)cc6)cc5)c5ccccc5)ccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C73H52N2O2/c1-76-66-37-31-52(32-38-66)64(48-74)43-50-23-27-58(28-24-50)70(54-15-7-3-8-16-54)72(56-19-11-5-12-20-56)60-35-41-68-62(45-60)47-63-46-61(36-42-69(63)68)73(57-21-13-6-14-22-57)71(55-17-9-4-10-18-55)59-29-25-51(26-30-59)44-65(49-75)53-33-39-67(77-2)40-34-53/h3-46H,47H2,1-2H3/b64-43+,65-44+,72-70+,73-71+
InChIKeyVURXQCILGWIJBP-UIBULJBRSA-N
MW989.23 g/mol
LogP17.42
Rot. Bonds14

About (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile

(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile (PubChem CID 132937795) has the molecular formula C73H52N2O2 and a molecular weight of 989.23 g/mol. Its IUPAC name is (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
PubChem CID132937795
Molecular FormulaC73H52N2O2
Molecular Weight989.23 g/mol
Exact Mass988.40
IUPAC Name(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccc(/C(=C(\c3ccccc3)c3ccc4c(c3)Cc3cc(/C(=C(\c5ccccc5)c5ccc(/C=C(\C#N)c6ccc(OC)cc6)cc5)c5ccccc5)ccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C73H52N2O2/c1-76-66-37-31-52(32-38-66)64(48-74)43-50-23-27-58(28-24-50)70(54-15-7-3-8-16-54)72(56-19-11-5-12-20-56)60-35-41-68-62(45-60)47-63-46-61(36-42-69(63)68)73(57-21-13-6-14-22-57)71(55-17-9-4-10-18-55)59-29-25-51(26-30-59)44-65(49-75)53-33-39-67(77-2)40-34-53/h3-46H,47H2,1-2H3/b64-43+,65-44+,72-70+,73-71+
InChIKeyVURXQCILGWIJBP-UIBULJBRSA-N
XLogP17.42
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile with MolForge

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Related Compounds

(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 3,4-dimethoxybenzoate
CID 39112650
[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 39114663
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005
[4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] benzoate
CID 19170622
[4-[(E)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 4-(4-methoxyphenoxy)butanoate
CID 39114322
[2-(9H-fluoren-3-yl)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 18284156
[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]-2-methoxyphenyl] 3-bromobenzoate
CID 39114660
[4-[(E)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 39114305
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 39112732

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile (CID 132937795) is (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is COc1ccc(/C(C#N)=C/c2ccc(/C(=C(\c3ccccc3)c3ccc4c(c3)Cc3cc(/C(=C(\c5ccccc5)c5ccc(/C=C(\C#N)c6ccc(OC)cc6)cc5)c5ccccc5)ccc3-4)c3ccccc3)cc2)cc1.
What is the InChIKey of (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
The InChIKey is VURXQCILGWIJBP-UIBULJBRSA-N. The full InChI is InChI=1S/C73H52N2O2/c1-76-66-37-31-52(32-38-66)64(48-74)43-50-23-27-58(28-24-50)70(54-15-7-3-8-16-54)72(56-19-11-5-12-20-56)60-35-41-68-62(45-60)47-63-46-61(36-42-69(63)68)73(57-21-13-6-14-22-57)71(55-17-9-4-10-18-55)59-29-25-51(26-30-59)44-65(49-75)53-33-39-67(77-2)40-34-53/h3-46H,47H2,1-2H3/b64-43+,65-44+,72-70+,73-71+.
What are the key properties of (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile?
(Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile has a molecular weight of 989.23 g/mol, XLogP of 17.42, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(E)-2-[7-[(E)-2-[4-[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenyl]-1,2-diphenylethenyl]-9H-fluoren-2-yl]-1,2-diphenylethenyl]phenyl]-2-(4-methoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 132937795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).