9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene

C31H24 — CID 23386729

IUPAC9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
SMILESC/C=C/c1ccc(/C=C/c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C31H24/c1-2-7-23-12-14-24(15-13-23)16-17-25-18-20-26(21-19-25)31-22-27-8-3-4-9-28(27)29-10-5-6-11-30(29)31/h2-22H,1H3/b7-2+,17-16+
InChIKeyAOUOIMAACDPRPU-WLZXLEAGSA-N
MW396.53 g/mol
LogP8.86
Rot. Bonds4

About 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene

9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene (PubChem CID 23386729) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
PubChem CID23386729
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
SMILESC/C=C/c1ccc(/C=C/c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C31H24/c1-2-7-23-12-14-24(15-13-23)16-17-25-18-20-26(21-19-25)31-22-27-8-3-4-9-28(27)29-10-5-6-11-30(29)31/h2-22H,1H3/b7-2+,17-16+
InChIKeyAOUOIMAACDPRPU-WLZXLEAGSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
9-[2-[4-[4-(2-phenanthren-9-ylethenyl)phenyl]phenyl]ethenyl]phenanthrene
CID 76595771
ethane;4-ethenyl-2-(4-phenanthren-9-ylphenyl)-3-[(Z)-prop-1-enyl]phenanthrene
CID 143743010
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(4-iodophenyl)phenanthrene
CID 89083753
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 59774135
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
N-[4-[4-[2-[4-[4-[di(phenanthren-9-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 90908670
3-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]phenyl]-9-(3-phenanthren-9-ylphenyl)phenanthrene
CID 143808978
4-phenanthren-9-ylbenzonitrile
CID 89027020

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene?
The IUPAC name of 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene (CID 23386729) is 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene?
The canonical SMILES for 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene is C/C=C/c1ccc(/C=C/c2ccc(-c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene?
The InChIKey is AOUOIMAACDPRPU-WLZXLEAGSA-N. The full InChI is InChI=1S/C31H24/c1-2-7-23-12-14-24(15-13-23)16-17-25-18-20-26(21-19-25)31-22-27-8-3-4-9-28(27)29-10-5-6-11-30(29)31/h2-22H,1H3/b7-2+,17-16+.
What are the key properties of 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene?
9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene has a molecular weight of 396.53 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene is sourced from PubChem (CID 23386729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).