22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene

C114H76N8OS — CID 161058330

IUPAC22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2c(n(-c3ccc(-c4ccccn4)cc3-c3ccccn3)c3ccccc23)-c2ccccc21.c1ccc(-c2cc3ccccc3c(-c3cccc4c3Oc3ccccc3-c3c-4c4ccccc4n3-c3ccccn3)n2)cc1.c1ccc(-c2cccc3c2Sc2ccccc2-c2c-3c3ccccc3n2-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C40H25N3O.C39H29N3.C35H22N2S/c1-2-13-26(14-3-1)33-25-27-15-4-5-16-28(27)38(42-33)32-20-12-19-31-37-29-17-6-8-21-34(29)43(36-23-10-11-24-41-36)39(37)30-18-7-9-22-35(30)44-40(31)32;1-39(2)31-16-6-3-13-27(31)37-29-15-5-8-20-35(29)42(38(37)28-14-4-7-17-32(28)39)36-22-21-26(33-18-9-11-23-40-33)25-30(36)34-19-10-12-24-41-34;1-2-11-23(12-3-1)26-17-10-18-29-33-27-15-6-8-19-30(27)37(32-21-24-13-4-5-14-25(24)22-36-32)34(33)28-16-7-9-20-31(28)38-35(26)29/h1-25H;3-25H,1-2H3;1-22H
InChIKeyUDBAHDHPPCJOOH-UHFFFAOYSA-N
MW1605.98 g/mol
LogP29.72
Rot. Bonds8

About 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene

22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene (PubChem CID 161058330) has the molecular formula C114H76N8OS and a molecular weight of 1605.98 g/mol. Its IUPAC name is 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene.

Molecular Properties

Compound Name22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene
PubChem CID161058330
Molecular FormulaC114H76N8OS
Molecular Weight1605.98 g/mol
Exact Mass1604.59
IUPAC Name22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2c(n(-c3ccc(-c4ccccn4)cc3-c3ccccn3)c3ccccc23)-c2ccccc21.c1ccc(-c2cc3ccccc3c(-c3cccc4c3Oc3ccccc3-c3c-4c4ccccc4n3-c3ccccn3)n2)cc1.c1ccc(-c2cccc3c2Sc2ccccc2-c2c-3c3ccccc3n2-c2cc3ccccc3cn2)cc1
InChIInChI=1S/C40H25N3O.C39H29N3.C35H22N2S/c1-2-13-26(14-3-1)33-25-27-15-4-5-16-28(27)38(42-33)32-20-12-19-31-37-29-17-6-8-21-34(29)43(36-23-10-11-24-41-36)39(37)30-18-7-9-22-35(30)44-40(31)32;1-39(2)31-16-6-3-13-27(31)37-29-15-5-8-20-35(29)42(38(37)28-14-4-7-17-32(28)39)36-22-21-26(33-18-9-11-23-40-33)25-30(36)34-19-10-12-24-41-34;1-2-11-23(12-3-1)26-17-10-18-29-33-27-15-6-8-19-30(27)37(32-21-24-13-4-5-14-25(24)22-36-32)34(33)28-16-7-9-20-31(28)38-35(26)29/h1-25H;3-25H,1-2H3;1-22H
InChIKeyUDBAHDHPPCJOOH-UHFFFAOYSA-N
XLogP29.72
TPSA88.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001605.98
LogP ≤ 529.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene with MolForge

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Related Compounds

22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254777
2-carbazol-9-yl-8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-2,13-diphenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 158129535
4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 166995811
18,18-dimethyl-3-[2-(3-pyridin-2-ylphenyl)-1,9-phenanthrolin-8-yl]-25-thia-3-azahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(17),2(10),4,6,8,11,13,15,19,21,23-undecaene
CID 164837259
22-[3-(3,6-diphenyl-2-pyridinyl)phenyl]-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254778
2-(3-pyridin-2-ylphenyl)-4-spiro[fluorene-9,9'-xanthene]-4'-ylquinazoline
CID 166914683
11,11-dimethyl-10-(4-pyridin-2-ylphenyl)indeno[1,2-b]quinoline
CID 139567195
8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 118668369
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-1'-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole;9-phenyl-4-(3'-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)carbazole;9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-4'-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-1-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-4-(6-pyridin-2-yl-9,9'-spirobi[xanthene]-4-yl)carbazole
CID 158909916
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
9-phenyl-4-(3-pyridin-2-yl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698418

Frequently Asked Questions

What is the IUPAC name of 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?
The IUPAC name of 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene (CID 161058330) is 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene.
What is the SMILES notation for 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?
The canonical SMILES for 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene is CC1(C)c2ccccc2-c2c(n(-c3ccc(-c4ccccn4)cc3-c3ccccn3)c3ccccc23)-c2ccccc21.c1ccc(-c2cc3ccccc3c(-c3cccc4c3Oc3ccccc3-c3c-4c4ccccc4n3-c3ccccn3)n2)cc1.c1ccc(-c2cccc3c2Sc2ccccc2-c2c-3c3ccccc3n2-c2cc3ccccc3cn2)cc1.
What is the InChIKey of 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?
The InChIKey is UDBAHDHPPCJOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O.C39H29N3.C35H22N2S/c1-2-13-26(14-3-1)33-25-27-15-4-5-16-28(27)38(42-33)32-20-12-19-31-37-29-17-6-8-21-34(29)43(36-23-10-11-24-41-36)39(37)30-18-7-9-22-35(30)44-40(31)32;1-39(2)31-16-6-3-13-27(31)37-29-15-5-8-20-35(29)42(38(37)28-14-4-7-17-32(28)39)36-22-21-26(33-18-9-11-23-40-33)25-30(36)34-19-10-12-24-41-34;1-2-11-23(12-3-1)26-17-10-18-29-33-27-15-6-8-19-30(27)37(32-21-24-13-4-5-14-25(24)22-36-32)34(33)28-16-7-9-20-31(28)38-35(26)29/h1-25H;3-25H,1-2H3;1-22H.
What are the key properties of 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene?
22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene has a molecular weight of 1605.98 g/mol, XLogP of 29.72, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(2,4-dipyridin-2-ylphenyl)-8,8-dimethyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;22-isoquinolin-3-yl-10-phenyl-8-thia-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;10-(3-phenylisoquinolin-1-yl)-22-pyridin-2-yl-8-oxa-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9(14),10,12,16,18,20-decaene is sourced from PubChem (CID 161058330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).