bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine

C202H186N22S2 — CID 159989616

IUPACbis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3cccs3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3cccs3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3nccc4ccccc34)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3nccc4ccccc34)c3nccc4ccccc34)c2c1
InChIInChI=1S/C53H38N6.2C45H34N6.C43H32N4S2.8C2H6/c1-33-20-21-44-45(30-33)49(59(52-42-18-10-6-14-38(42)24-28-56-52)53-43-19-11-7-15-39(43)25-29-57-53)47-32-35(3)34(2)31-46(47)48(44)58(50-40-16-8-4-12-36(40)22-26-54-50)51-41-17-9-5-13-37(41)23-27-55-51;2*1-29-18-19-36-37(26-29)43(51(41-17-9-11-23-47-41)45-35-15-7-5-13-33(35)21-25-49-45)39-28-31(3)30(2)27-38(39)42(36)50(40-16-8-10-22-46-40)44-34-14-6-4-12-32(34)20-24-48-44;1-27-16-17-34-35(24-27)41(47(39-15-9-23-49-39)43-33-13-7-5-11-31(33)19-21-45-43)37-26-29(3)28(2)25-36(37)40(34)46(38-14-8-22-48-38)42-32-12-6-4-10-30(32)18-20-44-42;8*1-2/h4-32H,1-3H3;2*4-28H,1-3H3;4-26H,1-3H3;8*1-2H3
InChIKeyOGTZDUOAYACGMR-UHFFFAOYSA-N
MW2986.00 g/mol
LogP58.83
Rot. Bonds24

About bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine

bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine (PubChem CID 159989616) has the molecular formula C202H186N22S2 and a molecular weight of 2986.00 g/mol. Its IUPAC name is bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine.

Molecular Properties

Compound Namebis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine
PubChem CID159989616
Molecular FormulaC202H186N22S2
Molecular Weight2986.00 g/mol
Exact Mass2983.47
IUPAC Namebis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3cccs3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3cccs3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3nccc4ccccc34)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3nccc4ccccc34)c3nccc4ccccc34)c2c1
InChIInChI=1S/C53H38N6.2C45H34N6.C43H32N4S2.8C2H6/c1-33-20-21-44-45(30-33)49(59(52-42-18-10-6-14-38(42)24-28-56-52)53-43-19-11-7-15-39(43)25-29-57-53)47-32-35(3)34(2)31-46(47)48(44)58(50-40-16-8-4-12-36(40)22-26-54-50)51-41-17-9-5-13-37(41)23-27-55-51;2*1-29-18-19-36-37(26-29)43(51(41-17-9-11-23-47-41)45-35-15-7-5-13-33(35)21-25-49-45)39-28-31(3)30(2)27-38(39)42(36)50(40-16-8-10-22-46-40)44-34-14-6-4-12-32(34)20-24-48-44;1-27-16-17-34-35(24-27)41(47(39-15-9-23-49-39)43-33-13-7-5-11-31(33)19-21-45-43)37-26-29(3)28(2)25-36(37)40(34)46(38-14-8-22-48-38)42-32-12-6-4-10-30(32)18-20-44-42;8*1-2/h4-32H,1-3H3;2*4-28H,1-3H3;4-26H,1-3H3;8*1-2H3
InChIKeyOGTZDUOAYACGMR-UHFFFAOYSA-N
XLogP58.83
TPSA206.38 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002986.00
LogP ≤ 558.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine with MolForge

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Related Compounds

6-[3-(cyclobutylamino)phenyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-[6-(ethylamino)-3-pyridinyl]-N-(1-methylsulfonylpiperidin-4-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-2-yl)isoquinolin-8-amine;N-(1-ethylsulfonylpiperidin-4-yl)-6-(5-methylthiophen-3-yl)isoquinolin-8-amine;N-(1-methylsulfonylpiperidin-4-yl)-6-[5-(trifluoromethyl)-3-pyridinyl]isoquinolin-8-amine
CID 159808748
2,4-diphenyl-6-pyridin-2-ylpyridine;N-phenyl-1-(6-phenyl-2-pyridinyl)ethanimine;1-phenyl-N-(pyridin-2-ylmethyl)ethanimine;2-phenyl-6-pyridin-2-ylpyridine;2-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]pyrimidine;4-pyridin-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene;2-pyridin-2-ylbenzo[h]quinoline;2-pyridin-2-yl-5,6-dihydrobenzo[h]quinoline;2-pyridin-2-yl-6-thiophen-2-ylpyridine
CID 161493152
1-Ethyl-2,7-dimethylbenzo[g]isoquinolin-2-ium;1-ethyl-2,8-dimethylbenzo[g]isoquinolin-2-ium;4-ethyl-3,6-dimethylquinazolin-3-ium;4-ethyl-3,7-dimethylquinazolin-3-ium;7-ethyl-2,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-6-ium;4-ethyl-3,7-dimethylthieno[3,2-d]pyrimidin-3-ium;4-ethyl-3,7-dimethyl-8-(trifluoromethyl)quinazolin-3-ium;4-ethyl-3,7,8-trimethylquinazolin-3-ium;4-ethyl-3,6,7-trimethylthieno[3,2-d]pyrimidin-3-ium
CID 162031399
7-N-([1]benzothiolo[2,3-b]pyridin-7-yl)-2-N-dibenzothiophen-3-yl-2-N,7-N-bis(5-fluoro-2-pyridinyl)phenanthrene-2,7-diamine
CID 171736352
9,10-dinaphthalen-2-yl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 57909480
9,10-ditert-butyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 57909531
9,10-dimethyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 57909560
9,10-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 57909565
9,10-diphenyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 57909575
9,10-bis(1,3-benzothiazol-2-yl)-2-N,2-N,7-N,7-N-tetrapyridin-2-ylanthracene-2,7-diamine
CID 57909583
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
CID 58121679
1-N,6-N-di(isoquinolin-1-yl)-1-N,6-N-dithiophen-2-ylpyrene-1,6-diamine
CID 59308965

Frequently Asked Questions

What is the IUPAC name of bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine?
The IUPAC name of bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine (CID 159989616) is bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine.
What is the SMILES notation for bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine?
The canonical SMILES for bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3ccccn3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3ccccn3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3cccs3)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3cccs3)c3nccc4ccccc34)c2c1.Cc1ccc2c(N(c3nccc4ccccc34)c3nccc4ccccc34)c3cc(C)c(C)cc3c(N(c3nccc4ccccc34)c3nccc4ccccc34)c2c1.
What is the InChIKey of bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine?
The InChIKey is OGTZDUOAYACGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N6.2C45H34N6.C43H32N4S2.8C2H6/c1-33-20-21-44-45(30-33)49(59(52-42-18-10-6-14-38(42)24-28-56-52)53-43-19-11-7-15-39(43)25-29-57-53)47-32-35(3)34(2)31-46(47)48(44)58(50-40-16-8-4-12-36(40)22-26-54-50)51-41-17-9-5-13-37(41)23-27-55-51;2*1-29-18-19-36-37(26-29)43(51(41-17-9-11-23-47-41)45-35-15-7-5-13-33(35)21-25-49-45)39-28-31(3)30(2)27-38(39)42(36)50(40-16-8-10-22-46-40)44-34-14-6-4-12-32(34)20-24-48-44;1-27-16-17-34-35(24-27)41(47(39-15-9-23-49-39)43-33-13-7-5-11-31(33)19-21-45-43)37-26-29(3)28(2)25-36(37)40(34)46(38-14-8-22-48-38)42-32-12-6-4-10-30(32)18-20-44-42;8*1-2/h4-32H,1-3H3;2*4-28H,1-3H3;4-26H,1-3H3;8*1-2H3.
What are the key properties of bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine?
bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine has a molecular weight of 2986.00 g/mol, XLogP of 58.83, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dipyridin-2-ylanthracene-9,10-diamine);9-N,10-N-di(isoquinolin-1-yl)-2,3,6-trimethyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane;9-N,9-N,10-N,10-N-tetra(isoquinolin-1-yl)-2,3,6-trimethylanthracene-9,10-diamine is sourced from PubChem (CID 159989616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).