1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran

C29H22O — CID 166957366

IUPAC1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran
SMILESC/C=C(\C=C/c1ccc(-c2ccccc2)cc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C29H22O/c1-2-22(18-15-21-16-19-24(20-17-21)23-9-4-3-5-10-23)25-12-8-14-28-29(25)26-11-6-7-13-27(26)30-28/h2-20H,1H3/b18-15-,22-2+
InChIKeyNWGGQWBNVHJUNR-BLIMOZGHSA-N
MW386.49 g/mol
LogP8.37
Rot. Bonds4

About 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran

1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran (PubChem CID 166957366) has the molecular formula C29H22O and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran.

Molecular Properties

Compound Name1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran
PubChem CID166957366
Molecular FormulaC29H22O
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran
SMILESC/C=C(\C=C/c1ccc(-c2ccccc2)cc1)c1cccc2oc3ccccc3c12
InChIInChI=1S/C29H22O/c1-2-22(18-15-21-16-19-24(20-17-21)23-9-4-3-5-10-23)25-12-8-14-28-29(25)26-11-6-7-13-27(26)30-28/h2-20H,1H3/b18-15-,22-2+
InChIKeyNWGGQWBNVHJUNR-BLIMOZGHSA-N
XLogP8.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
2-(2-dibenzofuran-1-ylphenyl)-4-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170223012
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
1-[1,2,3,4,5,6,7,8-octamethyl-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347121
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
4-[(1Z,3E)-5-(4-dibenzofuran-2-ylanilino)-1-[4-[4-(4-phenylphenyl)phenyl]phenyl]penta-1,3-dien-3-yl]-2-phenylphenol
CID 144827319
2-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]dibenzofuran
CID 144925010
CID 174028694
CID 174028694
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
N-phenyldibenzofuran-1-carboxamide
CID 11850358

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran?
The IUPAC name of 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran (CID 166957366) is 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran.
What is the SMILES notation for 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran?
The canonical SMILES for 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran is C/C=C(\C=C/c1ccc(-c2ccccc2)cc1)c1cccc2oc3ccccc3c12.
What is the InChIKey of 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran?
The InChIKey is NWGGQWBNVHJUNR-BLIMOZGHSA-N. The full InChI is InChI=1S/C29H22O/c1-2-22(18-15-21-16-19-24(20-17-21)23-9-4-3-5-10-23)25-12-8-14-28-29(25)26-11-6-7-13-27(26)30-28/h2-20H,1H3/b18-15-,22-2+.
What are the key properties of 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran?
1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran has a molecular weight of 386.49 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3E)-1-(4-phenylphenyl)penta-1,3-dien-3-yl]dibenzofuran is sourced from PubChem (CID 166957366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).