3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine

C40H25N2O2P — CID 144879283

IUPAC3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3ccc4c(c3)P3c5cc(-c6ccc(-c7cccnc7)cc6)ccc5Oc5cccc(c53)O4)cc2)c1
InChIInChI=1S/C40H25N2O2P/c1-6-36-40-37(7-1)44-35-19-17-31(27-10-14-29(15-11-27)33-5-3-21-42-25-33)23-39(35)45(40)38-22-30(16-18-34(38)43-36)26-8-12-28(13-9-26)32-4-2-20-41-24-32/h1-25H
InChIKeyMTLZYAPCFFADAF-UHFFFAOYSA-N
MW596.63 g/mol
LogP9.11
Rot. Bonds4

About 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine

3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine (PubChem CID 144879283) has the molecular formula C40H25N2O2P and a molecular weight of 596.63 g/mol. Its IUPAC name is 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine
PubChem CID144879283
Molecular FormulaC40H25N2O2P
Molecular Weight596.63 g/mol
Exact Mass596.17
IUPAC Name3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3ccc4c(c3)P3c5cc(-c6ccc(-c7cccnc7)cc6)ccc5Oc5cccc(c53)O4)cc2)c1
InChIInChI=1S/C40H25N2O2P/c1-6-36-40-37(7-1)44-35-19-17-31(27-10-14-29(15-11-27)33-5-3-21-42-25-33)23-39(35)45(40)38-22-30(16-18-34(38)43-36)26-8-12-28(13-9-26)32-4-2-20-41-24-32/h1-25H
InChIKeyMTLZYAPCFFADAF-UHFFFAOYSA-N
XLogP9.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.63
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine with MolForge

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Related Compounds

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3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
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3-[3-(5,17-diphenyl-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-11-yl)phenyl]pyridine
CID 144879603
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CID 158129947
3-(5-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-yl)pyridine
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benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
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3-[3-[3-(3-pyridin-4-ylphenyl)-5-[3-(3-pyridin-3-ylphenyl)-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 51358299
2-[3-(8,14-dioxa-1-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]pyrimidine
CID 144878740
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
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4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 164937031

Frequently Asked Questions

What is the IUPAC name of 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine (CID 144879283) is 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine is c1cncc(-c2ccc(-c3ccc4c(c3)P3c5cc(-c6ccc(-c7cccnc7)cc6)ccc5Oc5cccc(c53)O4)cc2)c1.
What is the InChIKey of 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine?
The InChIKey is MTLZYAPCFFADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N2O2P/c1-6-36-40-37(7-1)44-35-19-17-31(27-10-14-29(15-11-27)33-5-3-21-42-25-33)23-39(35)45(40)38-22-30(16-18-34(38)43-36)26-8-12-28(13-9-26)32-4-2-20-41-24-32/h1-25H.
What are the key properties of 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine?
3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine has a molecular weight of 596.63 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[18-(4-pyridin-3-ylphenyl)-8,14-dioxa-1-phosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]phenyl]pyridine is sourced from PubChem (CID 144879283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).