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

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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Related Compounds

15-phenyl-12-quinoxalin-6-yl-12,15-diazahexacyclo[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 154952669
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-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 122524274
18-(2,6-dipyridin-2-yl-4-pyridinyl)-9-phenyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 134183972
8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129222029
10-(2,6-dipyridin-2-yl-4-pyridinyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
CID 149344361
5-phenyl-8-[9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 129221692
14,22-diphenyl-3-(2-pyridin-2-ylphenyl)-3,14,22-triazahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4,6,8,11,15(23),16,18,20-decaene
CID 118203425
3-phenyl-24-(4-phenylpyrimidin-2-yl)-3,18,21,24-tetrazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525277
24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 122525280
15-phenyl-12-quinazolin-2-yl-4,12,15-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene
CID 122523957
5-(2,6-dipyridin-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 145009858
14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123824

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).