(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile

C34H34N4O2 — CID 155051590

IUPAC(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(-c2cc3cc4oc(-c5ccc(/C=C(/C)C#N)n5CC(C)C)cc4cc3o2)n1CC(C)C
InChIInChI=1S/C34H34N4O2/c1-21(2)19-37-27(11-23(5)17-35)7-9-29(37)33-15-25-13-32-26(14-31(25)39-33)16-34(40-32)30-10-8-28(12-24(6)18-36)38(30)20-22(3)4/h7-16,21-22H,19-20H2,1-6H3/b23-11-,24-12-
InChIKeyYGJPXZHMTOGPJZ-CBSQCECLSA-N
MW530.67 g/mol
LogP9.28
Rot. Bonds8

About (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile

(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile (PubChem CID 155051590) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile
PubChem CID155051590
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(-c2cc3cc4oc(-c5ccc(/C=C(/C)C#N)n5CC(C)C)cc4cc3o2)n1CC(C)C
InChIInChI=1S/C34H34N4O2/c1-21(2)19-37-27(11-23(5)17-35)7-9-29(37)33-15-25-13-32-26(14-31(25)39-33)16-34(40-32)30-10-8-28(12-24(6)18-36)38(30)20-22(3)4/h7-16,21-22H,19-20H2,1-6H3/b23-11-,24-12-
InChIKeyYGJPXZHMTOGPJZ-CBSQCECLSA-N
XLogP9.28
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile (CID 155051590) is (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile is C/C(C#N)=C/c1ccc(-c2cc3cc4oc(-c5ccc(/C=C(/C)C#N)n5CC(C)C)cc4cc3o2)n1CC(C)C.
What is the InChIKey of (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile?
The InChIKey is YGJPXZHMTOGPJZ-CBSQCECLSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-21(2)19-37-27(11-23(5)17-35)7-9-29(37)33-15-25-13-32-26(14-31(25)39-33)16-34(40-32)30-10-8-28(12-24(6)18-36)38(30)20-22(3)4/h7-16,21-22H,19-20H2,1-6H3/b23-11-,24-12-.
What are the key properties of (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile?
(Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile has a molecular weight of 530.67 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[2-[5-[(Z)-2-cyanoprop-1-enyl]-1-(2-methylpropyl)pyrrol-2-yl]furo[2,3-f][1]benzofuran-6-yl]-1-(2-methylpropyl)pyrrol-2-yl]-2-methylprop-2-enenitrile is sourced from PubChem (CID 155051590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).