5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C43H32N2P2 — CID 139429189

IUPAC5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1ccc2c(c1)P(c1ccccc1)c1cc(-c3cccc(-c4ccccn4)c3)cc3c1N2c1ccc(C)cc1P3c1ccccc1
InChIInChI=1S/C43H32N2P2/c1-29-19-21-37-39(24-29)46(34-14-5-3-6-15-34)41-27-33(31-12-11-13-32(26-31)36-18-9-10-23-44-36)28-42-43(41)45(37)38-22-20-30(2)25-40(38)47(42)35-16-7-4-8-17-35/h3-28H,1-2H3
InChIKeyLNHIEXUUWRFZCL-UHFFFAOYSA-N
MW638.69 g/mol
LogP8.65
Rot. Bonds4

About 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 139429189) has the molecular formula C43H32N2P2 and a molecular weight of 638.69 g/mol. Its IUPAC name is 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID139429189
Molecular FormulaC43H32N2P2
Molecular Weight638.69 g/mol
Exact Mass638.20
IUPAC Name5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCc1ccc2c(c1)P(c1ccccc1)c1cc(-c3cccc(-c4ccccn4)c3)cc3c1N2c1ccc(C)cc1P3c1ccccc1
InChIInChI=1S/C43H32N2P2/c1-29-19-21-37-39(24-29)46(34-14-5-3-6-15-34)41-27-33(31-12-11-13-32(26-31)36-18-9-10-23-44-36)28-42-43(41)45(37)38-22-20-30(2)25-40(38)47(42)35-16-7-4-8-17-35/h3-28H,1-2H3
InChIKeyLNHIEXUUWRFZCL-UHFFFAOYSA-N
XLogP8.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.69
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 139429189) is 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1ccc2c(c1)P(c1ccccc1)c1cc(-c3cccc(-c4ccccn4)c3)cc3c1N2c1ccc(C)cc1P3c1ccccc1.
What is the InChIKey of 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is LNHIEXUUWRFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2P2/c1-29-19-21-37-39(24-29)46(34-14-5-3-6-15-34)41-27-33(31-12-11-13-32(26-31)36-18-9-10-23-44-36)28-42-43(41)45(37)38-22-20-30(2)25-40(38)47(42)35-16-7-4-8-17-35/h3-28H,1-2H3.
What are the key properties of 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 638.69 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethyl-8,14-diphenyl-11-(3-pyridin-2-ylphenyl)-1-aza-8,14-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 139429189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).