10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene

C28H18N2Po — CID 143992659

IUPAC10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
SMILESC1=N/c2ccc3ccccc3c2-c2ccccc2[Po]c2c/1cccc2-c1ccccn1
InChIInChI=1S/C28H18N2.Po/c1-2-11-23(12-3-1)28-25-14-5-4-10-22(25)16-17-27(28)30-20-21-9-8-13-24(19-21)26-15-6-7-18-29-26;/h1-11,13-18,20H;/b30-20+;
InChIKeyDJCQYVALLVRNHT-BNCTYUPTSA-N
MW591.47 g/mol
LogP5.29
Rot. Bonds1

About 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene

10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene (PubChem CID 143992659) has the molecular formula C28H18N2Po and a molecular weight of 591.47 g/mol. Its IUPAC name is 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene.

Molecular Properties

Compound Name10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
PubChem CID143992659
Molecular FormulaC28H18N2Po
Molecular Weight591.47 g/mol
Exact Mass591.13
IUPAC Name10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene
SMILESC1=N/c2ccc3ccccc3c2-c2ccccc2[Po]c2c/1cccc2-c1ccccn1
InChIInChI=1S/C28H18N2.Po/c1-2-11-23(12-3-1)28-25-14-5-4-10-22(25)16-17-27(28)30-20-21-9-8-13-24(19-21)26-15-6-7-18-29-26;/h1-11,13-18,20H;/b30-20+;
InChIKeyDJCQYVALLVRNHT-BNCTYUPTSA-N
XLogP5.29
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene with MolForge

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Related Compounds

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2-(2-methoxynaphthalen-1-yl)pyridine
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4-[2-[12-(1-pyridin-4-ylnaphthalen-2-yl)tetracen-5-yl]naphthalen-1-yl]pyridine;2-[2-[12-(2-pyridin-2-ylphenyl)tetracen-5-yl]phenyl]pyridine;3-[2-[12-(2-pyridin-3-ylphenyl)tetracen-5-yl]phenyl]pyridine;4-[2-[12-(2-pyridin-4-ylphenyl)tetracen-5-yl]phenyl]pyridine
CID 158170790

Frequently Asked Questions

What is the IUPAC name of 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The IUPAC name of 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene (CID 143992659) is 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene.
What is the SMILES notation for 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The canonical SMILES for 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene is C1=N/c2ccc3ccccc3c2-c2ccccc2[Po]c2c/1cccc2-c1ccccn1.
What is the InChIKey of 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
The InChIKey is DJCQYVALLVRNHT-BNCTYUPTSA-N. The full InChI is InChI=1S/C28H18N2.Po/c1-2-11-23(12-3-1)28-25-14-5-4-10-22(25)16-17-27(28)30-20-21-9-8-13-24(19-21)26-15-6-7-18-29-26;/h1-11,13-18,20H;/b30-20+;.
What are the key properties of 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene?
10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene has a molecular weight of 591.47 g/mol, XLogP of 5.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-pyridin-2-yl-8λ2-polona-16-azapentacyclo[15.8.0.02,7.09,14.020,25]pentacosa-1(17),2,4,6,9(14),10,12,15,18,20,22,24-dodecaene is sourced from PubChem (CID 143992659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).