13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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

C52H33O4P — CID 11445621

IUPAC13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2-c2c(c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc23)O1
InChIInChI=1S/C52H33O4P/c53-57(54)55-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)56-57)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32H,(H,53,54)
InChIKeyFRXFYAVXIXQHHE-UHFFFAOYSA-N
MW752.81 g/mol
LogP14.51
Rot. Bonds4

About 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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 11445621) has the molecular formula C52H33O4P and a molecular weight of 752.81 g/mol. Its IUPAC name is 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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 CID11445621
Molecular FormulaC52H33O4P
Molecular Weight752.81 g/mol
Exact Mass752.21
IUPAC Name13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2-c2c(c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc23)O1
InChIInChI=1S/C52H33O4P/c53-57(54)55-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)56-57)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32H,(H,53,54)
InChIKeyFRXFYAVXIXQHHE-UHFFFAOYSA-N
XLogP14.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.81
LogP ≤ 514.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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 11445621) is 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc3c2-c2c(c(-c3ccc(-c4ccc5ccccc5c4)cc3)cc3ccccc23)O1.
What is the InChIKey of 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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 FRXFYAVXIXQHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33O4P/c53-57(54)55-51-47(37-23-17-35(18-24-37)41-27-21-33-9-1-3-11-39(33)29-41)31-43-13-5-7-15-45(43)49(51)50-46-16-8-6-14-44(46)32-48(52(50)56-57)38-25-19-36(20-26-38)42-28-22-34-10-2-4-12-40(34)30-42/h1-32H,(H,53,54).
What are the key properties of 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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-bis(4-naphthalen-2-ylphenyl)-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 752.81 g/mol, XLogP of 14.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-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 11445621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).