phenyl-(4-pyren-1-ylphenyl)methanone

C29H18O — CID 102198939

IUPACphenyl-(4-pyren-1-ylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C29H18O/c30-29(23-5-2-1-3-6-23)24-13-9-19(10-14-24)25-17-15-22-12-11-20-7-4-8-21-16-18-26(25)28(22)27(20)21/h1-18H
InChIKeyDHOFVJFIZMQWIX-UHFFFAOYSA-N
MW382.46 g/mol
LogP7.48
Rot. Bonds3

About phenyl-(4-pyren-1-ylphenyl)methanone

phenyl-(4-pyren-1-ylphenyl)methanone (PubChem CID 102198939) has the molecular formula C29H18O and a molecular weight of 382.46 g/mol. Its IUPAC name is phenyl-(4-pyren-1-ylphenyl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyren-1-ylphenyl)methanone
PubChem CID102198939
Molecular FormulaC29H18O
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Namephenyl-(4-pyren-1-ylphenyl)methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C29H18O/c30-29(23-5-2-1-3-6-23)24-13-9-19(10-14-24)25-17-15-22-12-11-20-7-4-8-21-16-18-26(25)28(22)27(20)21/h1-18H
InChIKeyDHOFVJFIZMQWIX-UHFFFAOYSA-N
XLogP7.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
1-phenyl-2-(4-pyren-1-ylpyridin-1-ium-1-yl)ethanone
CID 139731492
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
(2,3-dibenzoylpyren-1-yl)-phenylmethanone
CID 87274326
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
phenanthren-2-yl(phenyl)methanone
CID 131857195
1,8-di(pyren-1-yl)pyrene
CID 58915622
(2-aminopyren-1-yl)-phenylmethanone
CID 154364824
9-[4-[3,5-bis[4-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]-10-phenylanthracene;1-[4-[3,5-bis(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 159677648
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyren-1-ylphenyl)methanone?
The IUPAC name of phenyl-(4-pyren-1-ylphenyl)methanone (CID 102198939) is phenyl-(4-pyren-1-ylphenyl)methanone.
What is the SMILES notation for phenyl-(4-pyren-1-ylphenyl)methanone?
The canonical SMILES for phenyl-(4-pyren-1-ylphenyl)methanone is O=C(c1ccccc1)c1ccc(-c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of phenyl-(4-pyren-1-ylphenyl)methanone?
The InChIKey is DHOFVJFIZMQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18O/c30-29(23-5-2-1-3-6-23)24-13-9-19(10-14-24)25-17-15-22-12-11-20-7-4-8-21-16-18-26(25)28(22)27(20)21/h1-18H.
What are the key properties of phenyl-(4-pyren-1-ylphenyl)methanone?
phenyl-(4-pyren-1-ylphenyl)methanone has a molecular weight of 382.46 g/mol, XLogP of 7.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyren-1-ylphenyl)methanone is sourced from PubChem (CID 102198939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).