2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol

C50H35NO2 — CID 155129672

IUPAC2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol
SMILESC#C/C=C\C=C/CC1(c2ccccc2O)C2=C(/C=C\C(=C)c3ccccc3N2c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc21
InChIInChI=1S/C50H35NO2/c1-3-4-5-6-15-33-50(44-23-11-13-25-46(44)52)43-22-10-7-18-39(43)42-32-27-34(2)37-17-8-12-24-45(37)51(49(42)50)36-30-28-35(29-31-36)38-20-16-21-41-40-19-9-14-26-47(40)53-48(38)41/h1,4-32,52H,2,33H2/b5-4-,15-6-,32-27-
InChIKeyBZDRUFLZKIAVNV-PDEOMCJJSA-N
MW681.84 g/mol
LogP12.53
Rot. Bonds6

About 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol

2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol (PubChem CID 155129672) has the molecular formula C50H35NO2 and a molecular weight of 681.84 g/mol. Its IUPAC name is 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol.

Molecular Properties

Compound Name2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol
PubChem CID155129672
Molecular FormulaC50H35NO2
Molecular Weight681.84 g/mol
Exact Mass681.27
IUPAC Name2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol
SMILESC#C/C=C\C=C/CC1(c2ccccc2O)C2=C(/C=C\C(=C)c3ccccc3N2c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc21
InChIInChI=1S/C50H35NO2/c1-3-4-5-6-15-33-50(44-23-11-13-25-46(44)52)43-22-10-7-18-39(43)42-32-27-34(2)37-17-8-12-24-45(37)51(49(42)50)36-30-28-35(29-31-36)38-20-16-21-41-40-19-9-14-26-47(40)53-48(38)41/h1,4-32,52H,2,33H2/b5-4-,15-6-,32-27-
InChIKeyBZDRUFLZKIAVNV-PDEOMCJJSA-N
XLogP12.53
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.84
LogP ≤ 512.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol?
The IUPAC name of 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol (CID 155129672) is 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol.
What is the SMILES notation for 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol?
The canonical SMILES for 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol is C#C/C=C\C=C/CC1(c2ccccc2O)C2=C(/C=C\C(=C)c3ccccc3N2c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc21.
What is the InChIKey of 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol?
The InChIKey is BZDRUFLZKIAVNV-PDEOMCJJSA-N. The full InChI is InChI=1S/C50H35NO2/c1-3-4-5-6-15-33-50(44-23-11-13-25-46(44)52)43-22-10-7-18-39(43)42-32-27-34(2)37-17-8-12-24-45(37)51(49(42)50)36-30-28-35(29-31-36)38-20-16-21-41-40-19-9-14-26-47(40)53-48(38)41/h1,4-32,52H,2,33H2/b5-4-,15-6-,32-27-.
What are the key properties of 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol?
2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol has a molecular weight of 681.84 g/mol, XLogP of 12.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10Z)-2-(4-dibenzofuran-4-ylphenyl)-19-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-9-methylidene-2-azatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-19-yl]phenol is sourced from PubChem (CID 155129672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).