6-(3-phenylpropyl)-1,9-dihydropyrene

C25H22 — CID 144748557

IUPAC6-(3-phenylpropyl)-1,9-dihydropyrene
SMILESC1=Cc2ccc3c(CCCc4ccccc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C25H22/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/h1-3,5-7,11-14,16-17H,4,8-10,15H2
InChIKeyGROAOKJFCVCDPE-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.37
Rot. Bonds4

About 6-(3-phenylpropyl)-1,9-dihydropyrene

6-(3-phenylpropyl)-1,9-dihydropyrene (PubChem CID 144748557) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-(3-phenylpropyl)-1,9-dihydropyrene.

Molecular Properties

Compound Name6-(3-phenylpropyl)-1,9-dihydropyrene
PubChem CID144748557
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name6-(3-phenylpropyl)-1,9-dihydropyrene
SMILESC1=Cc2ccc3c(CCCc4ccccc4)ccc4c3c2C(=CC4)C1
InChIInChI=1S/C25H22/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/h1-3,5-7,11-14,16-17H,4,8-10,15H2
InChIKeyGROAOKJFCVCDPE-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(4,6-dihydropyren-1-yl)-N-(4-phenylphenyl)-1,3-benzothiazol-4-amine
CID 166918164
1-[1-(4,6-dihydropyren-1-yl)ethyl]-4-propan-2-yltriazole
CID 123910182
1H-indene;3-phenylpropan-1-ol
CID 174361450
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
1,9-dihydropyren-1-yl-(8,10-dihydropyren-1-yl)-phenylphosphane
CID 154932532
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
2'-(8,10-dihydropyren-1-yl)-7'-pyren-1-yl-9,9'-spirobi[fluorene]
CID 123822403
4-phenylbutylbenzene
CID 141301927
6-(4-phenylbutyl)-1H-isoindole
CID 157414357
5-butylacenaphthylene
CID 173460054

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpropyl)-1,9-dihydropyrene?
The IUPAC name of 6-(3-phenylpropyl)-1,9-dihydropyrene (CID 144748557) is 6-(3-phenylpropyl)-1,9-dihydropyrene.
What is the SMILES notation for 6-(3-phenylpropyl)-1,9-dihydropyrene?
The canonical SMILES for 6-(3-phenylpropyl)-1,9-dihydropyrene is C1=Cc2ccc3c(CCCc4ccccc4)ccc4c3c2C(=CC4)C1.
What is the InChIKey of 6-(3-phenylpropyl)-1,9-dihydropyrene?
The InChIKey is GROAOKJFCVCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/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/h1-3,5-7,11-14,16-17H,4,8-10,15H2.
What are the key properties of 6-(3-phenylpropyl)-1,9-dihydropyrene?
6-(3-phenylpropyl)-1,9-dihydropyrene has a molecular weight of 322.45 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropyl)-1,9-dihydropyrene is sourced from PubChem (CID 144748557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).