N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine

C166H108Cu5N18O6-14 — CID 158916200

About N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine

N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (PubChem CID 158916200) has the molecular formula C166H108Cu5N18O6-14 and a molecular weight of 2768.54 g/mol. Its IUPAC name is N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

Molecular Properties

• Compound Name: N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
• PubChem CID: 158916200
• Molecular Formula: C166H108Cu5N18O6-14
• Molecular Weight: 2768.54 g/mol
• Exact Mass: 2763.53
• IUPAC Name: N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine
• SMILES: Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Cu].[Cu].[Cu].[Cu].[Cu].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1c(-c2cccc3oc[c-]c23)cccc1N(c1ccccc1)c1cccc(-n2ccc3ccc[c-]c32)n1.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1
• InChI: InChI=1S/C39H22N3O.C36H22N5.C33H20N3O.C30H22N3O2.C28H22N4O2.5Cu/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-38-21-8-15-35(38)39-22-20-24-16-17-25(23-33(24)39)40-30-12-5-4-11-28(30)29-18-19-34(37-36(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-2-11-26(12-3-1)36(27-13-6-10-25(23-27)28-14-7-16-31-29(28)20-22-37-31)33-18-8-17-32(34-33)35-21-19-24-9-4-5-15-30(24)35;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;1-30-13-11-25-26(17-31(2)27(25)30)20-7-6-10-23(15-20)32(22-8-4-3-5-9-22)19-29-16-21-18-34-28-24(21)12-14-33-28;;;;;/h1-14,16-19,21-24H;2-13,16-22H,1H3;1-14,16-19,21-22H;1-12,14-18,22H,20-21H2;3-11,13-14,16-18H,19H2,1-2H3;;;;;/q4*-3;-2
• InChIKey: ZYYCBWHSPOQGTE-UHFFFAOYSA-N
• XLogP: 38.59
• TPSA: 195.13 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2768.54
LogP ≤ 5	38.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The IUPAC name of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine (CID 158916200) is N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine.

What is the SMILES notation for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The canonical SMILES for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)[c-]c21.[Cu].[Cu].[Cu].[Cu].[Cu].[c-]1c(-c2cccc3ccc[c-]c23)cccc1N1c2ccccc2Oc2ccc(-n3c4[c-]cccc4c4ccccc43)nc21.[c-]1c(-c2cccc3oc[c-]c23)cccc1N(c1ccccc1)c1cccc(-n2ccc3ccc[c-]c32)n1.[c-]1ccccc1C[C-](CN(c1ccccc1)c1nc2c(-n3[c-]ccc3)coc2o1)c1ccccc1.

What is the InChIKey of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

The InChIKey is ZYYCBWHSPOQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N3O.C36H22N5.C33H20N3O.C30H22N3O2.C28H22N4O2.5Cu/c1-2-15-29-26(11-1)12-10-18-30(29)27-13-9-14-28(25-27)41-35-21-7-8-22-36(35)43-37-23-24-38(40-39(37)41)42-33-19-5-3-16-31(33)32-17-4-6-20-34(32)42;1-38-21-8-15-35(38)39-22-20-24-16-17-25(23-33(24)39)40-30-12-5-4-11-28(30)29-18-19-34(37-36(29)40)41-31-13-6-2-9-26(31)27-10-3-7-14-32(27)41;1-2-11-26(12-3-1)36(27-13-6-10-25(23-27)28-14-7-16-31-29(28)20-22-37-31)33-18-8-17-32(34-33)35-21-19-24-9-4-5-15-30(24)35;1-4-12-23(13-5-1)20-25(24-14-6-2-7-15-24)21-33(26-16-8-3-9-17-26)30-31-28-27(22-34-29(28)35-30)32-18-10-11-19-32;1-30-13-11-25-26(17-31(2)27(25)30)20-7-6-10-23(15-20)32(22-8-4-3-5-9-22)19-29-16-21-18-34-28-24(21)12-14-33-28;;;;;/h1-14,16-19,21-24H;2-13,16-22H,1H3;1-14,16-19,21-22H;1-12,14-18,22H,20-21H2;3-11,13-14,16-18H,19H2,1-2H3;;;;;/q4*-3;-2;;;;;.

What are the key properties of N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine?

N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine has a molecular weight of 2768.54 g/mol, XLogP of 38.59, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3H-1-benzofuran-3-id-4-yl)benzene-2-id-1-yl]-6-(7H-indol-7-id-1-yl)-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)-7H-indol-7-id-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[3-(8H-naphthalen-8-id-1-yl)benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;copper;3-(1,6-dimethyl-3H-pyrrolo[2,3-b]pyrrol-1-ium-3-id-4-yl)-N-[(3H-furo[2,3-b]furan-3-id-4-ylmethylideneamino)methyl]-N-phenylbenzene-2-id-1-amine;N-phenyl-N-(2-phenyl-3-phenylpropyl)-6-(2H-pyrrol-2-id-1-yl)furo[3,2-d][1,3]oxazol-2-amine is sourced from PubChem (CID 158916200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).