21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene

C41H25N7 — CID 58731950

IUPAC21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c3c(c2-c2ccccn2)-c2ncccc2-c2cccnc2-c2cccnc2-3)nc1
InChIInChI=1S/C41H25N7/c1-5-19-42-29(15-1)33-34(30-16-2-6-20-43-30)36(32-18-4-8-22-45-32)38-37(35(33)31-17-3-7-21-44-31)40-27(13-10-24-47-40)26-12-9-23-46-39(26)28-14-11-25-48-41(28)38/h1-25H/b27-26-,39-28+,40-37+,41-38+
InChIKeyUHDNPLVXSNKKEJ-YMRPHEHASA-N
MW615.70 g/mol
LogP9.10
Rot. Bonds4

About 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene

21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene (PubChem CID 58731950) has the molecular formula C41H25N7 and a molecular weight of 615.70 g/mol. Its IUPAC name is 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene.

Molecular Properties

Compound Name21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene
PubChem CID58731950
Molecular FormulaC41H25N7
Molecular Weight615.70 g/mol
Exact Mass615.22
IUPAC Name21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c3c(c2-c2ccccn2)-c2ncccc2-c2cccnc2-c2cccnc2-3)nc1
InChIInChI=1S/C41H25N7/c1-5-19-42-29(15-1)33-34(30-16-2-6-20-43-30)36(32-18-4-8-22-45-32)38-37(35(33)31-17-3-7-21-44-31)40-27(13-10-24-47-40)26-12-9-23-46-39(26)28-14-11-25-48-41(28)38/h1-25H/b27-26-,39-28+,40-37+,41-38+
InChIKeyUHDNPLVXSNKKEJ-YMRPHEHASA-N
XLogP9.10
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.70
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene with MolForge

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Related Compounds

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2-(3-pyridin-2-yl-2-pyridinyl)pyrimidine
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copper;2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine
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9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene
CID 58731952
3-chloro-2-(2-pyridin-2-yl-3-pyridinyl)pyridine;platinum
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CID 138756955
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tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene?
The IUPAC name of 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene (CID 58731950) is 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene.
What is the SMILES notation for 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene?
The canonical SMILES for 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene is c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c3c(c2-c2ccccn2)-c2ncccc2-c2cccnc2-c2cccnc2-3)nc1.
What is the InChIKey of 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene?
The InChIKey is UHDNPLVXSNKKEJ-YMRPHEHASA-N. The full InChI is InChI=1S/C41H25N7/c1-5-19-42-29(15-1)33-34(30-16-2-6-20-43-30)36(32-18-4-8-22-45-32)38-37(35(33)31-17-3-7-21-44-31)40-27(13-10-24-47-40)26-12-9-23-46-39(26)28-14-11-25-48-41(28)38/h1-25H/b27-26-,39-28+,40-37+,41-38+.
What are the key properties of 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene?
21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene has a molecular weight of 615.70 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 58731950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).