13-hydroxy-10,16-di(quinolin-2-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

C38H23N2O4P — CID 118156746

IUPAC13-hydroxy-10,16-di(quinolin-2-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(-c3ccc4ccccc4n3)cc3ccccc3c2-c2c(c(-c3ccc4ccccc4n3)cc3ccccc23)O1
InChIInChI=1S/C38H23N2O4P/c41-45(42)43-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)44-45)34-20-18-24-10-4-8-16-32(24)40-34/h1-22H,(H,41,42)
InChIKeyROLSJYFMPAPKSY-UHFFFAOYSA-N
MW602.59 g/mol
LogP9.96
Rot. Bonds2

About 13-hydroxy-10,16-di(quinolin-2-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-di(quinolin-2-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 118156746) has the molecular formula C38H23N2O4P and a molecular weight of 602.59 g/mol. Its IUPAC name is 13-hydroxy-10,16-di(quinolin-2-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-di(quinolin-2-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 CID118156746
Molecular FormulaC38H23N2O4P
Molecular Weight602.59 g/mol
Exact Mass602.14
IUPAC Name13-hydroxy-10,16-di(quinolin-2-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(-c3ccc4ccccc4n3)cc3ccccc3c2-c2c(c(-c3ccc4ccccc4n3)cc3ccccc23)O1
InChIInChI=1S/C38H23N2O4P/c41-45(42)43-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)44-45)34-20-18-24-10-4-8-16-32(24)40-34/h1-22H,(H,41,42)
InChIKeyROLSJYFMPAPKSY-UHFFFAOYSA-N
XLogP9.96
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.59
LogP ≤ 59.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 13-hydroxy-10,16-di(quinolin-2-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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Related Compounds

13-Hydroxy-10,16-dipyridin-3-yl-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
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Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-10,16-di(quinolin-2-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-di(quinolin-2-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 118156746) is 13-hydroxy-10,16-di(quinolin-2-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-di(quinolin-2-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-di(quinolin-2-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(-c3ccc4ccccc4n3)cc3ccccc3c2-c2c(c(-c3ccc4ccccc4n3)cc3ccccc23)O1.
What is the InChIKey of 13-hydroxy-10,16-di(quinolin-2-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 ROLSJYFMPAPKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N2O4P/c41-45(42)43-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)44-45)34-20-18-24-10-4-8-16-32(24)40-34/h1-22H,(H,41,42).
What are the key properties of 13-hydroxy-10,16-di(quinolin-2-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-di(quinolin-2-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 602.59 g/mol, XLogP of 9.96, 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-di(quinolin-2-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 118156746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).