(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane

C32H22O4P2 — CID 122371953

IUPAC(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane
SMILESO=P1(O)Oc2ccc3ccccc3c2-c2c(c(P(c3ccccc3)c3ccccc3)cc3ccccc23)O1
InChIInChI=1S/C32H22O4P2/c33-38(34)35-28-20-19-22-11-7-9-17-26(22)30(28)31-27-18-10-8-12-23(27)21-29(32(31)36-38)37(24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21H,(H,33,34)
InChIKeyCVELSLOHZFVXKP-UHFFFAOYSA-N
MW532.47 g/mol
LogP7.29
Rot. Bonds3

About (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane

(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane (PubChem CID 122371953) has the molecular formula C32H22O4P2 and a molecular weight of 532.47 g/mol. Its IUPAC name is (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane.

Molecular Properties

Compound Name(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane
PubChem CID122371953
Molecular FormulaC32H22O4P2
Molecular Weight532.47 g/mol
Exact Mass532.10
IUPAC Name(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane
SMILESO=P1(O)Oc2ccc3ccccc3c2-c2c(c(P(c3ccccc3)c3ccccc3)cc3ccccc23)O1
InChIInChI=1S/C32H22O4P2/c33-38(34)35-28-20-19-22-11-7-9-17-26(22)30(28)31-27-18-10-8-12-23(27)21-29(32(31)36-38)37(24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21H,(H,33,34)
InChIKeyCVELSLOHZFVXKP-UHFFFAOYSA-N
XLogP7.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.47
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane?
The IUPAC name of (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane (CID 122371953) is (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane.
What is the SMILES notation for (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane?
The canonical SMILES for (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane is O=P1(O)Oc2ccc3ccccc3c2-c2c(c(P(c3ccccc3)c3ccccc3)cc3ccccc23)O1.
What is the InChIKey of (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane?
The InChIKey is CVELSLOHZFVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O4P2/c33-38(34)35-28-20-19-22-11-7-9-17-26(22)30(28)31-27-18-10-8-12-23(27)21-29(32(31)36-38)37(24-13-3-1-4-14-24)25-15-5-2-6-16-25/h1-21H,(H,33,34).
What are the key properties of (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane?
(13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane has a molecular weight of 532.47 g/mol, XLogP of 7.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (13-hydroxy-13-oxo-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-decaen-10-yl)-diphenylphosphane is sourced from PubChem (CID 122371953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).