2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine

C28H17N2O2PS — CID 118220105

IUPAC2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine
SMILESS=P12c3ccc(-c4ccccn4)cc3Oc3cccc(c31)Oc1cc(-c3ccccn3)ccc12
InChIInChI=1S/C28H17N2O2PS/c34-33-26-12-10-18(20-6-1-3-14-29-20)16-24(26)31-22-8-5-9-23(28(22)33)32-25-17-19(11-13-27(25)33)21-7-2-4-15-30-21/h1-17H
InChIKeyJZLPFQCTFNOJMW-UHFFFAOYSA-N
MW476.50 g/mol
LogP5.78
Rot. Bonds2

About 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine

2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine (PubChem CID 118220105) has the molecular formula C28H17N2O2PS and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine.

Molecular Properties

Compound Name2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine
PubChem CID118220105
Molecular FormulaC28H17N2O2PS
Molecular Weight476.50 g/mol
Exact Mass476.07
IUPAC Name2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine
SMILESS=P12c3ccc(-c4ccccn4)cc3Oc3cccc(c31)Oc1cc(-c3ccccn3)ccc12
InChIInChI=1S/C28H17N2O2PS/c34-33-26-12-10-18(20-6-1-3-14-29-20)16-24(26)31-22-8-5-9-23(28(22)33)32-25-17-19(11-13-27(25)33)21-7-2-4-15-30-21/h1-17H
InChIKeyJZLPFQCTFNOJMW-UHFFFAOYSA-N
XLogP5.78
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine with MolForge

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Related Compounds

3-[3-(1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]pyridine
CID 118220154
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(18-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-4-yl)pyridine
CID 144879316
3-(5,17-diphenyl-12-pyridin-3-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-10-yl)pyridine
CID 118219797
5,17-bis(2-methyl-4-pyridinyl)-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 1-oxide
CID 118219917
2-(3-pyridin-3-yl-9,9'-spirobi[xanthene]-3'-yl)pyridine
CID 118698448
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
4-[4-[16-(4-pyridin-4-ylphenyl)-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-6-yl]phenyl]pyridine
CID 118219897
8-[3-[3-(3-chloro-5-pyridin-2-ylphenyl)phenyl]phenyl]-[1,4]benzodioxino[2,3-b]pyridine
CID 169291603
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-(3,4-dibromophenyl)pyridine
CID 628679
CID 88529992
CID 88529992

Frequently Asked Questions

What is the IUPAC name of 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine?
The IUPAC name of 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine (CID 118220105) is 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine.
What is the SMILES notation for 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine?
The canonical SMILES for 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine is S=P12c3ccc(-c4ccccn4)cc3Oc3cccc(c31)Oc1cc(-c3ccccn3)ccc12.
What is the InChIKey of 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine?
The InChIKey is JZLPFQCTFNOJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N2O2PS/c34-33-26-12-10-18(20-6-1-3-14-29-20)16-24(26)31-22-8-5-9-23(28(22)33)32-25-17-19(11-13-27(25)33)21-7-2-4-15-30-21/h1-17H.
What are the key properties of 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine?
2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine has a molecular weight of 476.50 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(17-pyridin-2-yl-1-sulfanylidene-8,14-dioxa-1λ5-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl)pyridine is sourced from PubChem (CID 118220105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).