ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine

C43H31NO — CID 142353580

IUPACethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine
SMILESC=C.[H]/N=C(/C=C\C(=C)c1c2ccccc2c(-c2ccccc2)c2ccccc12)c1cccc2oc3cc4ccccc4cc3c12
InChIInChI=1S/C41H27NO.C2H4/c1-26(39-30-16-7-9-18-32(30)40(27-12-3-2-4-13-27)33-19-10-8-17-31(33)39)22-23-36(42)34-20-11-21-37-41(34)35-24-28-14-5-6-15-29(28)25-38(35)43-37;1-2/h2-25,42H,1H2;1-2H2/b23-22-,42-36-;
InChIKeyJWEKLHSTEHMRCM-IKDYXQQBSA-N
MW577.73 g/mol
LogP12.15
Rot. Bonds5

About ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine

ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine (PubChem CID 142353580) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Nameethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine
PubChem CID142353580
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Nameethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine
SMILESC=C.[H]/N=C(/C=C\C(=C)c1c2ccccc2c(-c2ccccc2)c2ccccc12)c1cccc2oc3cc4ccccc4cc3c12
InChIInChI=1S/C41H27NO.C2H4/c1-26(39-30-16-7-9-18-32(30)40(27-12-3-2-4-13-27)33-19-10-8-17-31(33)39)22-23-36(42)34-20-11-21-37-41(34)35-24-28-14-5-6-15-29(28)25-38(35)43-37;1-2/h2-25,42H,1H2;1-2H2/b23-22-,42-36-;
InChIKeyJWEKLHSTEHMRCM-IKDYXQQBSA-N
XLogP12.15
TPSA36.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine 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-[1-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 170249918
1-[10-(3,4-diphenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155203981
1-[10-(2,6-dideuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170654026
2-naphtho[2,3-b][1]benzofuran-1-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 134531225
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
CID 165025337
CID 165025337
1-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 164779542
(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
CID 129066637
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458
1-[10-[2,3,4,5-tetradeuterio-6-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170662844
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744

Frequently Asked Questions

What is the IUPAC name of ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine?
The IUPAC name of ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine (CID 142353580) is ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine?
The canonical SMILES for ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine is C=C.[H]/N=C(/C=C\C(=C)c1c2ccccc2c(-c2ccccc2)c2ccccc12)c1cccc2oc3cc4ccccc4cc3c12.
What is the InChIKey of ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine?
The InChIKey is JWEKLHSTEHMRCM-IKDYXQQBSA-N. The full InChI is InChI=1S/C41H27NO.C2H4/c1-26(39-30-16-7-9-18-32(30)40(27-12-3-2-4-13-27)33-19-10-8-17-31(33)39)22-23-36(42)34-20-11-21-37-41(34)35-24-28-14-5-6-15-29(28)25-38(35)43-37;1-2/h2-25,42H,1H2;1-2H2/b23-22-,42-36-;.
What are the key properties of ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine?
ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine has a molecular weight of 577.73 g/mol, XLogP of 12.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2Z)-1-naphtho[2,3-b][1]benzofuran-1-yl-4-(10-phenylanthracen-9-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 142353580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).