2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine

C27H17N2O2P — CID 46835164

IUPAC2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cc2c1
InChIInChI=1S/C27H17N2O2P/c1-3-9-20-17(6-1)11-13-22-25(20)26-21-10-4-2-7-18(21)12-14-23(26)31-32(30-22)24-16-19-8-5-15-28-27(19)29-24/h1-16H,(H,28,29)
InChIKeyMEYDOHVIBOLHHV-UHFFFAOYSA-N
MW432.42 g/mol
LogP8.46
Rot. Bonds1

About 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine

2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46835164) has the molecular formula C27H17N2O2P and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID46835164
Molecular FormulaC27H17N2O2P
Molecular Weight432.42 g/mol
Exact Mass432.10
IUPAC Name2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cc2c1
InChIInChI=1S/C27H17N2O2P/c1-3-9-20-17(6-1)11-13-22-25(20)26-21-10-4-2-7-18(21)12-14-23(26)31-32(30-22)24-16-19-8-5-15-28-27(19)29-24/h1-16H,(H,28,29)
InChIKeyMEYDOHVIBOLHHV-UHFFFAOYSA-N
XLogP8.46
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine (CID 46835164) is 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(-p3oc4ccc5ccccc5c4c4c(ccc5ccccc54)o3)cc2c1.
What is the InChIKey of 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MEYDOHVIBOLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N2O2P/c1-3-9-20-17(6-1)11-13-22-25(20)26-21-10-4-2-7-18(21)12-14-23(26)31-32(30-22)24-16-19-8-5-15-28-27(19)29-24/h1-16H,(H,28,29).
What are the key properties of 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine?
2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 432.42 g/mol, XLogP of 8.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46835164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).