1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione

C33H19NO3S — CID 145474352

IUPAC1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione
SMILESO=C1c2c(-c3cccnc3)ccc(-c3cccs3)c2C(=O)c2c(-c3ccccc3)ccc(-c3ccco3)c21
InChIInChI=1S/C33H19NO3S/c35-32-29-23(21-9-4-16-34-19-21)13-15-25(27-11-6-18-38-27)31(29)33(36)28-22(20-7-2-1-3-8-20)12-14-24(30(28)32)26-10-5-17-37-26/h1-19H
InChIKeyPYJUQCNPTFDYQW-UHFFFAOYSA-N
MW509.59 g/mol
LogP8.18
Rot. Bonds4

About 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione

1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione (PubChem CID 145474352) has the molecular formula C33H19NO3S and a molecular weight of 509.59 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione.

Molecular Properties

Compound Name1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione
PubChem CID145474352
Molecular FormulaC33H19NO3S
Molecular Weight509.59 g/mol
Exact Mass509.11
IUPAC Name1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione
SMILESO=C1c2c(-c3cccnc3)ccc(-c3cccs3)c2C(=O)c2c(-c3ccccc3)ccc(-c3ccco3)c21
InChIInChI=1S/C33H19NO3S/c35-32-29-23(21-9-4-16-34-19-21)13-15-25(27-11-6-18-38-27)31(29)33(36)28-22(20-7-2-1-3-8-20)12-14-24(30(28)32)26-10-5-17-37-26/h1-19H
InChIKeyPYJUQCNPTFDYQW-UHFFFAOYSA-N
XLogP8.18
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
4,4,4-Trifluoro-1-(furan-2-yl)butane-1,3-dione;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-dione;4,4,4-trifluoro-1-phenylbutane-1,3-dione;4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
CID 157475025
2-Amino-5-(furan-3-yl)benzonitrile;2-amino-5-naphthalen-1-ylbenzonitrile;2-amino-5-pyridin-3-ylbenzonitrile;2-amino-5-thiophen-3-ylbenzonitrile;2-amino-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 158228785
5-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21045711
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21045815
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 21045897
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047771
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione?
The IUPAC name of 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione (CID 145474352) is 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione.
What is the SMILES notation for 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione?
The canonical SMILES for 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione is O=C1c2c(-c3cccnc3)ccc(-c3cccs3)c2C(=O)c2c(-c3ccccc3)ccc(-c3ccco3)c21.
What is the InChIKey of 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione?
The InChIKey is PYJUQCNPTFDYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19NO3S/c35-32-29-23(21-9-4-16-34-19-21)13-15-25(27-11-6-18-38-27)31(29)33(36)28-22(20-7-2-1-3-8-20)12-14-24(30(28)32)26-10-5-17-37-26/h1-19H.
What are the key properties of 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione?
1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione has a molecular weight of 509.59 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-phenyl-8-pyridin-3-yl-5-thiophen-2-ylanthracene-9,10-dione is sourced from PubChem (CID 145474352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).