(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone

C35H20O3 — CID 138605745

IUPAC(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C35H20O3/c36-30-7-3-1-6-29(30)35(37)28-18-12-21-10-16-26-23(14-9-20-11-17-27(28)34(21)33(20)26)22-13-15-25-24-5-2-4-8-31(24)38-32(25)19-22/h1-19,36H
InChIKeyMZHXYUFCWGCDPS-UHFFFAOYSA-N
MW488.54 g/mol
LogP9.09
Rot. Bonds3

About (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone

(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 138605745) has the molecular formula C35H20O3 and a molecular weight of 488.54 g/mol. Its IUPAC name is (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID138605745
Molecular FormulaC35H20O3
Molecular Weight488.54 g/mol
Exact Mass488.14
IUPAC Name(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C35H20O3/c36-30-7-3-1-6-29(30)35(37)28-18-12-21-10-16-26-23(14-9-20-11-17-27(28)34(21)33(20)26)22-13-15-25-24-5-2-4-8-31(24)38-32(25)19-22/h1-19,36H
InChIKeyMZHXYUFCWGCDPS-UHFFFAOYSA-N
XLogP9.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyphenyl)-[6-(2-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-[6-(4-phenylphenyl)pyren-1-yl]methanone;(2-hydroxyphenyl)-(8-phenylpyren-1-yl)methanone
CID 161318732
(2-hydroxyphenyl)-[6-(4-propoxyphenyl)pyren-1-yl]methanone
CID 138605781
7,10-bis[3-(6-phenylpyren-1-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 170939838
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
5-[4-(dimethylamino)phenyl]-3-(2-hydroxybenzoyl)benzo[a]xanthen-12-one
CID 56946850
2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 159977483
2-[2-pyren-1-yl-5-(4-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303139
3-[4-(9-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]dibenzofuran
CID 121287519
N,N-dinaphthalen-2-yl-6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)pyren-1-amine
CID 155008946
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
5-[6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyren-1-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 155008997
2-[3-pyren-1-yl-2-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 169303206

Frequently Asked Questions

What is the IUPAC name of (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone (CID 138605745) is (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)c1ccc2ccc3c(-c4ccc5c(c4)oc4ccccc45)ccc4ccc1c2c43.
What is the InChIKey of (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is MZHXYUFCWGCDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20O3/c36-30-7-3-1-6-29(30)35(37)28-18-12-21-10-16-26-23(14-9-20-11-17-27(28)34(21)33(20)26)22-13-15-25-24-5-2-4-8-31(24)38-32(25)19-22/h1-19,36H.
What are the key properties of (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone?
(6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 488.54 g/mol, XLogP of 9.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-dibenzofuran-3-ylpyren-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 138605745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).