copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)

C208H224CuN14Zn2 — CID 157236408

IUPACcopper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3/[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3\[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C42H44N3.2C35H41N2.2C27H27N2.Cu.2Zn/c2*1-25(2)33-11-9-12-34(26(3)4)39(33)31-15-17-37-29(23-31)19-21-43-41(37)45-42-38-18-16-32(24-30(38)20-22-44-42)40-35(27(5)6)13-10-14-36(40)28(7)8;2*1-22(2)30-11-9-12-31(23(3)4)34(30)26-15-17-36-28(19-26)21-29-20-27(16-18-37-29)35-32(24(5)6)13-10-14-33(35)25(7)8;2*1-18(2)23-10-7-11-24(19(3)4)27(23)21-13-14-28-22(16-21)17-26-25-9-6-5-8-20(25)12-15-29-26;;;/h2*9-28H,1-8H3;2*9-25H,1-8H3;2*5-19H,1-4H3;;;/q6*-1;3*+2
InChIKeyAURNRFVIVARNRB-UHFFFAOYSA-N
MW3114.50 g/mol
LogP59.55
Rot. Bonds36

About copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)

copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) (PubChem CID 157236408) has the molecular formula C208H224CuN14Zn2 and a molecular weight of 3114.50 g/mol. Its IUPAC name is copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline).

Molecular Properties

Compound Namecopper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)
PubChem CID157236408
Molecular FormulaC208H224CuN14Zn2
Molecular Weight3114.50 g/mol
Exact Mass3108.58
IUPAC Namecopper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3/[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3\[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.[Cu+2].[Zn+2].[Zn+2]
InChIInChI=1S/2C42H44N3.2C35H41N2.2C27H27N2.Cu.2Zn/c2*1-25(2)33-11-9-12-34(26(3)4)39(33)31-15-17-37-29(23-31)19-21-43-41(37)45-42-38-18-16-32(24-30(38)20-22-44-42)40-35(27(5)6)13-10-14-36(40)28(7)8;2*1-22(2)30-11-9-12-31(23(3)4)34(30)26-15-17-36-28(19-26)21-29-20-27(16-18-37-29)35-32(24(5)6)13-10-14-33(35)25(7)8;2*1-18(2)23-10-7-11-24(19(3)4)27(23)21-13-14-28-22(16-21)17-26-25-9-6-5-8-20(25)12-15-29-26;;;/h2*9-28H,1-8H3;2*9-25H,1-8H3;2*5-19H,1-4H3;;;/q6*-1;3*+2
InChIKeyAURNRFVIVARNRB-UHFFFAOYSA-N
XLogP59.55
TPSA186.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms225
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003114.50
LogP ≤ 559.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) with MolForge

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Related Compounds

zinc bis(4-tert-butyl-N-isoquinolin-1-ylpyridin-1-id-2-imine)
CID 156629578
zinc bis(N-isoquinolin-1-ylpyridin-1-id-2-imine)
CID 156629591
6-propan-2-yl-1-(4-propan-2-ylphenanthren-2-yl)isoquinoline
CID 170661018
1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
CID 129049108
6-phenyl-1-propan-2-ylnaphthalene
CID 176757319
1,8-di(propan-2-yl)isoquinoline
CID 170669302
1-[3-[(Z)-[(3Z)-3-(isoquinolin-1-ylmethylidene)isoindol-1-ylidene]methyl]phenyl]isoquinoline
CID 155601774
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
CID 58652174
CID 58652174
1-propan-2-ylphenanthrene
CID 12628671
3-(7-phenanthren-9-ylnaphthalen-2-yl)-1,6-di(propan-2-yl)pyrene
CID 123503516
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)?
The IUPAC name of copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) (CID 157236408) is copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline).
What is the SMILES notation for copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)?
The canonical SMILES for copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) is CC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3/[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(/N=c3\[n-]ccc4cc(-c5c(C(C)C)cccc5C(C)C)ccc34)nccc2c1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2cc(-c3c(C(C)C)cccc3C(C)C)ccn2)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.CC(C)c1cccc(C(C)C)c1C1=CC(=Cc2nccc3ccccc23)[N-]C=C1.[Cu+2].[Zn+2].[Zn+2].
What is the InChIKey of copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)?
The InChIKey is AURNRFVIVARNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H44N3.2C35H41N2.2C27H27N2.Cu.2Zn/c2*1-25(2)33-11-9-12-34(26(3)4)39(33)31-15-17-37-29(23-31)19-21-43-41(37)45-42-38-18-16-32(24-30(38)20-22-44-42)40-35(27(5)6)13-10-14-36(40)28(7)8;2*1-22(2)30-11-9-12-31(23(3)4)34(30)26-15-17-36-28(19-26)21-29-20-27(16-18-37-29)35-32(24(5)6)13-10-14-33(35)25(7)8;2*1-18(2)23-10-7-11-24(19(3)4)27(23)21-13-14-28-22(16-21)17-26-25-9-6-5-8-20(25)12-15-29-26;;;/h2*9-28H,1-8H3;2*9-25H,1-8H3;2*5-19H,1-4H3;;;/q6*-1;3*+2.
What are the key properties of copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline)?
copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) has a molecular weight of 3114.50 g/mol, XLogP of 59.55, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dizinc;bis(6-[2,6-di(propan-2-yl)phenyl]-N-[6-[2,6-di(propan-2-yl)phenyl]isoquinolin-1-yl]isoquinolin-2-id-1-imine);bis(4-[2,6-di(propan-2-yl)phenyl]-2-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]pyridine);bis(1-[[4-[2,6-di(propan-2-yl)phenyl]pyridin-1-id-2-ylidene]methyl]isoquinoline) is sourced from PubChem (CID 157236408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).