6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene

C25H20 — CID 144673847

IUPAC6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene
SMILESC1=Cc2ccc3c(C/C=C/c4ccccc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C25H20/c1-2-6-18(7-3-1)8-4-9-19-12-13-22-15-14-20-10-5-11-21-16-17-23(19)25(22)24(20)21/h1-8,11-14,16-17H,9-10,15H2/b8-4+
InChIKeyCSLUXOZKGIJQDY-XBXARRHUSA-N
MW320.44 g/mol
LogP6.45
Rot. Bonds3

About 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene

6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene (PubChem CID 144673847) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene.

Molecular Properties

Compound Name6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene
PubChem CID144673847
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene
SMILESC1=Cc2ccc3c(C/C=C/c4ccccc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C25H20/c1-2-6-18(7-3-1)8-4-9-19-12-13-22-15-14-20-10-5-11-21-16-17-23(19)25(22)24(20)21/h1-8,11-14,16-17H,9-10,15H2/b8-4+
InChIKeyCSLUXOZKGIJQDY-XBXARRHUSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(3-phenylpropyl)-1,9-dihydropyrene
CID 144748557
2-bromo-1-(4,6-dihydropyren-1-yl)ethanone
CID 139250452
N-[4-[2-[4-[4-[2-[4-[N-(4,6-dihydropyren-1-yl)-4-methylanilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)pyren-1-amine
CID 89375249
N-(4,6-dihydropyren-1-yl)-N-(4-phenylphenyl)-1,3-benzothiazol-4-amine
CID 166918164
1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
CID 154932532
1-[1-(4,6-dihydropyren-1-yl)ethyl]-4-propan-2-yltriazole
CID 123910182
2-[6-[4-[4-[4-(4,6-dihydropyren-1-yl)phenyl]phenyl]phenyl]pyren-1-yl]-2,3-dihydro-1-benzothiophene
CID 89147245
22-methyl-20-[(E)-3-phenylprop-2-enyl]pentacyclo[13.8.0.02,11.03,8.016,21]tricosa-1(15),2(11),3(8),4,9,13,16,18,20,22-decaene
CID 144779312
1-[4-[2-[3-(4,6-dihydropyren-1-yl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]pyrene
CID 143388675
2-(3-phenylprop-2-enyl)-5-sulfonylcyclohexa-1,3-diene
CID 173275226
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene?
The IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene (CID 144673847) is 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene.
What is the SMILES notation for 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene?
The canonical SMILES for 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene is C1=Cc2ccc3c(C/C=C/c4ccccc4)ccc4c3c2C(=CC4)C1.
What is the InChIKey of 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene?
The InChIKey is CSLUXOZKGIJQDY-XBXARRHUSA-N. The full InChI is InChI=1S/C25H20/c1-2-6-18(7-3-1)8-4-9-19-12-13-22-15-14-20-10-5-11-21-16-17-23(19)25(22)24(20)21/h1-8,11-14,16-17H,9-10,15H2/b8-4+.
What are the key properties of 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene?
6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene has a molecular weight of 320.44 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-phenylprop-2-enyl]-1,9-dihydropyrene is sourced from PubChem (CID 144673847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).