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)-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

C100H64Cu3N10O4-8 — CID 157245033

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)-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-[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)-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 (PubChem CID 157245033) has the molecular formula C100H64Cu3N10O4-8 and a molecular weight of 1660.32 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)-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.

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)-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
• PubChem CID: 157245033
• Molecular Formula: C100H64Cu3N10O4-8
• Molecular Weight: 1660.32 g/mol
• Exact Mass: 1657.30
• 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)-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
• SMILES: Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.[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
• InChI: InChI=1S/C39H22N3O.C33H20N3O.C28H22N4O2.3Cu/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;1-2-11-26(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;1-30-13-11-25-26(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;1-14,16-19,21-22H;3-11,13-14,16-18H,19H2,1-2H3;;;/q2*-3;-2
• InChIKey: FFKKEXZOOBGRJT-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 115.18 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.32
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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)-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?

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)-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 (CID 157245033) 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)-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.

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)-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?

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)-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 is Cn1cc(-c2[c-]c(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)ccc2)c2[cH-]c[n+](C)c21.[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.

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)-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?

The InChIKey is FFKKEXZOOBGRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N3O.C33H20N3O.C28H22N4O2.3Cu/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;1-2-11-26(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;1-30-13-11-25-26(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;1-14,16-19,21-22H;3-11,13-14,16-18H,19H2,1-2H3;;;/q2*-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)-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-[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)-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 has a molecular weight of 1660.32 g/mol, XLogP of 23.82, 14 rotatable bonds, 0 hydrogen bond donors, and 13 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)-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 is sourced from PubChem (CID 157245033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).