1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran

C39H30O — CID 142319517

IUPAC1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
SMILESC=C/C=C\C(=C/C)c1ccc2c(c1)oc1cccc(-c3c(C=C)c(C=C)c(-c4ccccc4)c4ccccc34)c12
InChIInChI=1S/C39H30O/c1-5-9-16-26(6-2)28-23-24-33-36(25-28)40-35-22-15-21-34(39(33)35)38-30(8-4)29(7-3)37(27-17-11-10-12-18-27)31-19-13-14-20-32(31)38/h5-25H,1,3-4H2,2H3/b16-9-,26-6+
InChIKeyIVECKCQTJZPFFK-UMGVPVGXSA-N
MW514.67 g/mol
LogP11.50
Rot. Bonds7

About 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran

1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran (PubChem CID 142319517) has the molecular formula C39H30O and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran.

Molecular Properties

Compound Name1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
PubChem CID142319517
Molecular FormulaC39H30O
Molecular Weight514.67 g/mol
Exact Mass514.23
IUPAC Name1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran
SMILESC=C/C=C\C(=C/C)c1ccc2c(c1)oc1cccc(-c3c(C=C)c(C=C)c(-c4ccccc4)c4ccccc34)c12
InChIInChI=1S/C39H30O/c1-5-9-16-26(6-2)28-23-24-33-36(25-28)40-35-22-15-21-34(39(33)35)38-30(8-4)29(7-3)37(27-17-11-10-12-18-27)31-19-13-14-20-32(31)38/h5-25H,1,3-4H2,2H3/b16-9-,26-6+
InChIKeyIVECKCQTJZPFFK-UMGVPVGXSA-N
XLogP11.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran 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-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
6-[(1Z)-buta-1,3-dienyl]-7-methyl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 166843978
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 155049857
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
1-[1,2,3,4,5,6,7,8-octamethyl-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347121
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-methyl-2-[(Z)-prop-1-enyl]naphthalen-1-yl]-6,7-diphenyldibenzofuran
CID 167067645
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-amine
CID 145276711
7-ethenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]-6-[(Z)-prop-1-enyl]dibenzofuran
CID 167085496

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The IUPAC name of 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran (CID 142319517) is 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran.
What is the SMILES notation for 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The canonical SMILES for 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran is C=C/C=C\C(=C/C)c1ccc2c(c1)oc1cccc(-c3c(C=C)c(C=C)c(-c4ccccc4)c4ccccc34)c12.
What is the InChIKey of 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
The InChIKey is IVECKCQTJZPFFK-UMGVPVGXSA-N. The full InChI is InChI=1S/C39H30O/c1-5-9-16-26(6-2)28-23-24-33-36(25-28)40-35-22-15-21-34(39(33)35)38-30(8-4)29(7-3)37(27-17-11-10-12-18-27)31-19-13-14-20-32(31)38/h5-25H,1,3-4H2,2H3/b16-9-,26-6+.
What are the key properties of 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran?
1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran has a molecular weight of 514.67 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(ethenyl)-4-phenylnaphthalen-1-yl]-7-[(2E,4Z)-hepta-2,4,6-trien-3-yl]dibenzofuran is sourced from PubChem (CID 142319517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).