10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

C28H17O6P — CID 146294474

IUPAC10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
SMILESO=P1(O)Oc2c(-c3ccoc3)cc3ccccc3c2-c2c(c(-c3ccoc3)cc3ccccc23)O1
InChIInChI=1S/C28H17O6P/c29-35(30)33-27-23(19-9-11-31-15-19)13-17-5-1-3-7-21(17)25(27)26-22-8-4-2-6-18(22)14-24(28(26)34-35)20-10-12-32-16-20/h1-16H,(H,29,30)
InChIKeyRNOJMGSJIOXDMK-UHFFFAOYSA-N
MW480.41 g/mol
LogP8.05
Rot. Bonds2

About 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide (PubChem CID 146294474) has the molecular formula C28H17O6P and a molecular weight of 480.41 g/mol. Its IUPAC name is 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide.

Molecular Properties

Compound Name10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
PubChem CID146294474
Molecular FormulaC28H17O6P
Molecular Weight480.41 g/mol
Exact Mass480.08
IUPAC Name10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
SMILESO=P1(O)Oc2c(-c3ccoc3)cc3ccccc3c2-c2c(c(-c3ccoc3)cc3ccccc23)O1
InChIInChI=1S/C28H17O6P/c29-35(30)33-27-23(19-9-11-31-15-19)13-17-5-1-3-7-21(17)25(27)26-22-8-4-2-6-18(22)14-24(28(26)34-35)20-10-12-32-16-20/h1-16H,(H,29,30)
InChIKeyRNOJMGSJIOXDMK-UHFFFAOYSA-N
XLogP8.05
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.41
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Furyl)-6-(3-hydroxyphenyl)-2-naphthol
CID 25069766
4-Furan-3-yl-7-[3-(4-hydroxy-tetrahydro-pyran-4-yl)-benzyloxy]-3H-naphtho[2,3-c]furan-1-one
CID 15283092
methyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
CID 73213264
10,16-Bis(1-benzofuran-5-yl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 146294464
ethyl 1-(furan-2-yl)-3-methyl-1H-benzo[f]chromene-2-carboxylate
CID 73213330
12-Oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),9,11(14)-hexaen-3-ol
CID 14322636
1-Benzo[e][1]benzofuran-1-ylbenzo[e][1]benzofuran
CID 12996521
6,16-Dioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,7,9,14,17,19-octaene-2,12-dione
CID 58049866
4-[2-(3-Fluoro-4-methoxyphenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde
CID 53825924
4-[2-(3-Fluoro-phenyl)-6-methoxy-naphthalen-1-yloxy]-benzaldehyde
CID 53884056
4-[2-(4-Fluorophenyl)-6-methoxynaphthalen-1-yl]oxybenzaldehyde
CID 54464175
3-Fluoro-4-{[3-methyl-6-(methyloxy)-2-phenyl-1-naphthalenyl]oxy}benzaldehyde
CID 86616640

Frequently Asked Questions

What is the IUPAC name of 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide?
The IUPAC name of 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide (CID 146294474) is 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide.
What is the SMILES notation for 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide?
The canonical SMILES for 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide is O=P1(O)Oc2c(-c3ccoc3)cc3ccccc3c2-c2c(c(-c3ccoc3)cc3ccccc23)O1.
What is the InChIKey of 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide?
The InChIKey is RNOJMGSJIOXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17O6P/c29-35(30)33-27-23(19-9-11-31-15-19)13-17-5-1-3-7-21(17)25(27)26-22-8-4-2-6-18(22)14-24(28(26)34-35)20-10-12-32-16-20/h1-16H,(H,29,30).
What are the key properties of 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide?
10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide has a molecular weight of 480.41 g/mol, XLogP of 8.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-bis(furan-3-yl)-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide is sourced from PubChem (CID 146294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).