pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole

C165H120Cu5N31O2PS+ — CID 157229577

IUPACpentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole
SMILESCN1CCN(c2ccccn2)c2nc3n(c21)N(C)CCN3c1ccc2cccc(-c3[c-]cc4ccccc4c3)c2n1.CN1c2ccccc2N(c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)c2nc3c(-c4ccccn4)coc3cc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[H]/[C-]=C(\C)C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1
InChIInChI=1S/C41H26N6P.C33H29N8.C32H25N7O.C30H23N4O.C29H17N6S.5Cu/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-37-18-20-39(28-12-5-6-17-34-28)31-32(37)41-33(36-31)40(21-19-38(41)2)29-16-15-24-10-7-11-27(30(24)35-29)26-14-13-23-8-3-4-9-25(23)22-26;1-36-16-14-20-21(18-37(2)32(20)36)24-10-8-13-29(34-24)39-26-12-5-4-11-25(26)38(3)27-17-28-30(35-31(27)39)22(19-40-28)23-9-6-7-15-33-23;1-18(2)20-11-7-9-19-17-23-21-10-3-4-14-25(21)34(29(23)32-27(19)20)30-33-28-22(12-8-15-26(28)35-30)24-13-5-6-16-31-24;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;;;;;/h2-21,23-24,39H,1H3;3-13,15-17,22H,18-21H2,1-2H3;4-19H,1-3H3;1,3-6,8,10,12-17,20H,7,9,11H2,2H3;1-16,18H;;;;;/q2*-1;;2*-1;5*+1
InChIKeyLKJPAZJYRCFOCZ-UHFFFAOYSA-N
MW2949.76 g/mol
LogP36.12
Rot. Bonds15

About pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole

pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole (PubChem CID 157229577) has the molecular formula C165H120Cu5N31O2PS+ and a molecular weight of 2949.76 g/mol. Its IUPAC name is pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Namepentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole
PubChem CID157229577
Molecular FormulaC165H120Cu5N31O2PS+
Molecular Weight2949.76 g/mol
Exact Mass2944.62
IUPAC Namepentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole
SMILESCN1CCN(c2ccccn2)c2nc3n(c21)N(C)CCN3c1ccc2cccc(-c3[c-]cc4ccccc4c3)c2n1.CN1c2ccccc2N(c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)c2nc3c(-c4ccccn4)coc3cc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[H]/[C-]=C(\C)C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1
InChIInChI=1S/C41H26N6P.C33H29N8.C32H25N7O.C30H23N4O.C29H17N6S.5Cu/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-37-18-20-39(28-12-5-6-17-34-28)31-32(37)41-33(36-31)40(21-19-38(41)2)29-16-15-24-10-7-11-27(30(24)35-29)26-14-13-23-8-3-4-9-25(23)22-26;1-36-16-14-20-21(18-37(2)32(20)36)24-10-8-13-29(34-24)39-26-12-5-4-11-25(26)38(3)27-17-28-30(35-31(27)39)22(19-40-28)23-9-6-7-15-33-23;1-18(2)20-11-7-9-19-17-23-21-10-3-4-14-25(21)34(29(23)32-27(19)20)30-33-28-22(12-8-15-26(28)35-30)24-13-5-6-16-31-24;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;;;;;/h2-21,23-24,39H,1H3;3-13,15-17,22H,18-21H2,1-2H3;4-19H,1-3H3;1,3-6,8,10,12-17,20H,7,9,11H2,2H3;1-16,18H;;;;;/q2*-1;;2*-1;5*+1
InChIKeyLKJPAZJYRCFOCZ-UHFFFAOYSA-N
XLogP36.12
TPSA286.80 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds15
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002949.76
LogP ≤ 536.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole?
The IUPAC name of pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole (CID 157229577) is pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole.
What is the SMILES notation for pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole?
The canonical SMILES for pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole is CN1CCN(c2ccccn2)c2nc3n(c21)N(C)CCN3c1ccc2cccc(-c3[c-]cc4ccccc4c3)c2n1.CN1c2ccccc2N(c2cccc(-c3cn(C)c4c3[cH-]c[n+]4C)n2)c2nc3c(-c4ccccn4)coc3cc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[H]/[C-]=C(\C)C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1.
What is the InChIKey of pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole?
The InChIKey is LKJPAZJYRCFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6P.C33H29N8.C32H25N7O.C30H23N4O.C29H17N6S.5Cu/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-37-18-20-39(28-12-5-6-17-34-28)31-32(37)41-33(36-31)40(21-19-38(41)2)29-16-15-24-10-7-11-27(30(24)35-29)26-14-13-23-8-3-4-9-25(23)22-26;1-36-16-14-20-21(18-37(2)32(20)36)24-10-8-13-29(34-24)39-26-12-5-4-11-25(26)38(3)27-17-28-30(35-31(27)39)22(19-40-28)23-9-6-7-15-33-23;1-18(2)20-11-7-9-19-17-23-21-10-3-4-14-25(21)34(29(23)32-27(19)20)30-33-28-22(12-8-15-26(28)35-30)24-13-5-6-16-31-24;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;;;;;/h2-21,23-24,39H,1H3;3-13,15-17,22H,18-21H2,1-2H3;4-19H,1-3H3;1,3-6,8,10,12-17,20H,7,9,11H2,2H3;1-16,18H;;;;;/q2*-1;;2*-1;5*+1.
What are the key properties of pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole?
pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole has a molecular weight of 2949.76 g/mol, XLogP of 36.12, 15 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(copper(1+));3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;9-[6-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-2-pyridinyl]-2-methyl-13-pyridin-2-yl-15-oxa-2,9,11-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),3,5,7,10,12(16),13-heptaene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;2-(4-prop-1-en-2-yl-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-6-yl)-4-pyridin-2-yl-1,3-benzoxazole is sourced from PubChem (CID 157229577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).