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15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C41H25N7 — CID 122524051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccc4nccnc4c3c3ccc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4c32)cc1
InChIInChI=1S/C41H25N7/c1-2-10-26(11-3-1)47-37-19-18-33-39(45-23-22-44-33)38(37)30-17-16-29-28-12-4-5-15-36(28)48(40(29)41(30)47)27-24-34(31-13-6-8-20-42-31)46-35(25-27)32-14-7-9-21-43-32/h1-25H
InChIKeyWHMWDTFNKNXQMX-UHFFFAOYSA-N
MW615.70 g/mol
LogP9.34
Rot. Bonds4

About 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 122524051) has the molecular formula C41H25N7 and a molecular weight of 615.70 g/mol. Its IUPAC name is 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID122524051
Molecular FormulaC41H25N7
Molecular Weight615.70 g/mol
Exact Mass615.22
IUPAC Name15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-n2c3ccc4nccnc4c3c3ccc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4c32)cc1
InChIInChI=1S/C41H25N7/c1-2-10-26(11-3-1)47-37-19-18-33-39(45-23-22-44-33)38(37)30-17-16-29-28-12-4-5-15-36(28)48(40(29)41(30)47)27-24-34(31-13-6-8-20-42-31)46-35(25-27)32-14-7-9-21-43-32/h1-25H
InChIKeyWHMWDTFNKNXQMX-UHFFFAOYSA-N
XLogP9.34
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.70
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 122524051) is 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(-n2c3ccc4nccnc4c3c3ccc4c5ccccc5n(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)c4c32)cc1.
What is the InChIKey of 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is WHMWDTFNKNXQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N7/c1-2-10-26(11-3-1)47-37-19-18-33-39(45-23-22-44-33)38(37)30-17-16-29-28-12-4-5-15-36(28)48(40(29)41(30)47)27-24-34(31-13-6-8-20-42-31)46-35(25-27)32-14-7-9-21-43-32/h1-25H.
What are the key properties of 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 615.70 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,6-dipyridin-2-yl-4-pyridinyl)-12-phenyl-4,7,12,15-tetrazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 122524051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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