19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene

C37H24N6 — CID 154646941

IUPAC19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3n3c5ccccc5nc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N6/c1-4-14-25(15-5-1)30-24-33(40-35(38-30)26-16-6-2-7-17-26)42-31-22-12-10-20-28(31)34-36(42)43-32-23-13-11-21-29(32)39-37(43)41(34)27-18-8-3-9-19-27/h1-24H
InChIKeyJEBAVTMOCGHLCL-UHFFFAOYSA-N
MW552.64 g/mol
LogP8.50
Rot. Bonds4

About 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene

19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene (PubChem CID 154646941) has the molecular formula C37H24N6 and a molecular weight of 552.64 g/mol. Its IUPAC name is 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene.

Molecular Properties

Compound Name19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
PubChem CID154646941
Molecular FormulaC37H24N6
Molecular Weight552.64 g/mol
Exact Mass552.21
IUPAC Name19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3n3c5ccccc5nc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C37H24N6/c1-4-14-25(15-5-1)30-24-33(40-35(38-30)26-16-6-2-7-17-26)42-31-22-12-10-20-28(31)34-36(42)43-32-23-13-11-21-29(32)39-37(43)41(34)27-18-8-3-9-19-27/h1-24H
InChIKeyJEBAVTMOCGHLCL-UHFFFAOYSA-N
XLogP8.50
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene with MolForge

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Related Compounds

9-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646640
6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 154646495
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 164745048
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
26-(2,6-diphenylpyrimidin-4-yl)-3,10,26-triazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),20,22,24-tridecaene
CID 90432978
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,9,18-triazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-2(10),3,5,7,11,13,15,17,19,21,23-undecaene
CID 140939547
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 129200603
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
25-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432579

Frequently Asked Questions

What is the IUPAC name of 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene?
The IUPAC name of 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene (CID 154646941) is 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene.
What is the SMILES notation for 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene?
The canonical SMILES for 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene is c1ccc(-c2cc(-n3c4ccccc4c4c3n3c5ccccc5nc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene?
The InChIKey is JEBAVTMOCGHLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N6/c1-4-14-25(15-5-1)30-24-33(40-35(38-30)26-16-6-2-7-17-26)42-31-22-12-10-20-28(31)34-36(42)43-32-23-13-11-21-29(32)39-37(43)41(34)27-18-8-3-9-19-27/h1-24H.
What are the key properties of 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene?
19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene has a molecular weight of 552.64 g/mol, XLogP of 8.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene is sourced from PubChem (CID 154646941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).