13-hydroxy-10,16-dipyridin-3-yl-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

C30H19N2O4P — CID 146294472

IUPAC13-hydroxy-10,16-dipyridin-3-yl-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(-c3cccnc3)cc3ccccc3c2-c2c(c(-c3cccnc3)cc3ccccc23)O1
InChIInChI=1S/C30H19N2O4P/c33-37(34)35-29-25(21-9-5-13-31-17-21)15-19-7-1-3-11-23(19)27(29)28-24-12-4-2-8-20(24)16-26(30(28)36-37)22-10-6-14-32-18-22/h1-18H,(H,33,34)
InChIKeyADLFGFQNQAYRAE-UHFFFAOYSA-N
MW502.47 g/mol
LogP7.66
Rot. Bonds2

About 13-hydroxy-10,16-dipyridin-3-yl-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

13-hydroxy-10,16-dipyridin-3-yl-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 146294472) has the molecular formula C30H19N2O4P and a molecular weight of 502.47 g/mol. Its IUPAC name is 13-hydroxy-10,16-dipyridin-3-yl-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 Name13-hydroxy-10,16-dipyridin-3-yl-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 CID146294472
Molecular FormulaC30H19N2O4P
Molecular Weight502.47 g/mol
Exact Mass502.11
IUPAC Name13-hydroxy-10,16-dipyridin-3-yl-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(-c3cccnc3)cc3ccccc3c2-c2c(c(-c3cccnc3)cc3ccccc23)O1
InChIInChI=1S/C30H19N2O4P/c33-37(34)35-29-25(21-9-5-13-31-17-21)15-19-7-1-3-11-23(19)27(29)28-24-12-4-2-8-20(24)16-26(30(28)36-37)22-10-6-14-32-18-22/h1-18H,(H,33,34)
InChIKeyADLFGFQNQAYRAE-UHFFFAOYSA-N
XLogP7.66
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 13-hydroxy-10,16-dipyridin-3-yl-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

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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-10,16-dipyridin-3-yl-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 13-hydroxy-10,16-dipyridin-3-yl-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 146294472) is 13-hydroxy-10,16-dipyridin-3-yl-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 13-hydroxy-10,16-dipyridin-3-yl-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 13-hydroxy-10,16-dipyridin-3-yl-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(-c3cccnc3)cc3ccccc3c2-c2c(c(-c3cccnc3)cc3ccccc23)O1.
What is the InChIKey of 13-hydroxy-10,16-dipyridin-3-yl-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 ADLFGFQNQAYRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2O4P/c33-37(34)35-29-25(21-9-5-13-31-17-21)15-19-7-1-3-11-23(19)27(29)28-24-12-4-2-8-20(24)16-26(30(28)36-37)22-10-6-14-32-18-22/h1-18H,(H,33,34).
What are the key properties of 13-hydroxy-10,16-dipyridin-3-yl-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?
13-hydroxy-10,16-dipyridin-3-yl-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 502.47 g/mol, XLogP of 7.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-10,16-dipyridin-3-yl-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 146294472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).