1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran

C31H26O — CID 142519053

IUPAC1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
SMILESC/C=C\C(=C/C)c1cccc(-c2cccc(-c3ccc(C)c4oc5ccccc5c34)c2)c1
InChIInChI=1S/C31H26O/c1-4-10-22(5-2)23-11-8-12-24(19-23)25-13-9-14-26(20-25)27-18-17-21(3)31-30(27)28-15-6-7-16-29(28)32-31/h4-20H,1-3H3/b10-4-,22-5+
InChIKeyVGNJKHFJAWPHSW-PYCRUENISA-N
MW414.55 g/mol
LogP9.21
Rot. Bonds4

About 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran

1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran (PubChem CID 142519053) has the molecular formula C31H26O and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran.

Molecular Properties

Compound Name1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
PubChem CID142519053
Molecular FormulaC31H26O
Molecular Weight414.55 g/mol
Exact Mass414.20
IUPAC Name1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
SMILESC/C=C\C(=C/C)c1cccc(-c2cccc(-c3ccc(C)c4oc5ccccc5c34)c2)c1
InChIInChI=1S/C31H26O/c1-4-10-22(5-2)23-11-8-12-24(19-23)25-13-9-14-26(20-25)27-18-17-21(3)31-30(27)28-15-6-7-16-29(28)32-31/h4-20H,1-3H3/b10-4-,22-5+
InChIKeyVGNJKHFJAWPHSW-PYCRUENISA-N
XLogP9.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran 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-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-[4-[4-[3-methyl-4-[(Z)-prop-1-enyl]phenyl]dibenzofuran-1-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167008047
1-(3-methylphenyl)dibenzofuran-4-carboximidamide
CID 142453012
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
CID 141034650
2-[3-(8-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine
CID 156706459

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran?
The IUPAC name of 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran (CID 142519053) is 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran.
What is the SMILES notation for 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran?
The canonical SMILES for 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran is C/C=C\C(=C/C)c1cccc(-c2cccc(-c3ccc(C)c4oc5ccccc5c34)c2)c1.
What is the InChIKey of 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran?
The InChIKey is VGNJKHFJAWPHSW-PYCRUENISA-N. The full InChI is InChI=1S/C31H26O/c1-4-10-22(5-2)23-11-8-12-24(19-23)25-13-9-14-26(20-25)27-18-17-21(3)31-30(27)28-15-6-7-16-29(28)32-31/h4-20H,1-3H3/b10-4-,22-5+.
What are the key properties of 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran?
1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran has a molecular weight of 414.55 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran is sourced from PubChem (CID 142519053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).