6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium

C162H109N21Ni5O6P+2 — CID 157428001

About 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium

6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium (PubChem CID 157428001) has the molecular formula C162H109N21Ni5O6P+2 and a molecular weight of 2770.23 g/mol. Its IUPAC name is 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium.

Molecular Properties

• Compound Name: 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium
• PubChem CID: 157428001
• Molecular Formula: C162H109N21Ni5O6P+2
• Molecular Weight: 2770.23 g/mol
• Exact Mass: 2764.54
• IUPAC Name: 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium
• SMILES: Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)nc21.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+3].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1)c1ccccc1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12
• InChI: InChI=1S/C38H22N4O.C35H22N6.C32H20N4O.C30H22N2O2P.C27H22N5O2.5Ni/c1-2-13-26-25(11-1)12-9-16-27(26)30-17-10-22-36(39-30)42-33-20-7-8-21-34(33)43-35-23-24-37(40-38(35)42)41-31-18-5-3-14-28(31)29-15-4-6-19-32(29)41;1-38-21-8-15-33(38)39-22-20-23-16-18-32(36-34(23)39)41-30-14-7-4-11-26(30)27-17-19-31(37-35(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40;1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-4-12-24(13-5-1)22-35(26-16-8-3-9-17-26)23-32(25-14-6-2-7-15-25)29-20-27-28(21-33-30(27)34-29)31-18-10-11-19-31;1-30-13-11-22-23(16-31(2)26(22)30)24-9-6-10-25(29-24)32(20-7-4-3-5-8-20)18-28-15-19-17-34-27-21(19)12-14-33-27;;;;;/h1-12,14-18,20-24H;2-12,14,16-22H,1H3;1-13,15-19,21-22H;1-12,14-18,21H,22-23H2;3-11,13-17H,18H2,1-2H3;;;;;/q3*-2;-3;-1;4*+2;+3/p+1
• InChIKey: KWWDDHBXSVFIBK-UHFFFAOYSA-O
• XLogP: 37.21
• TPSA: 233.80 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2770.23
LogP ≤ 5	37.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium?

The IUPAC name of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium (CID 157428001) is 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium.

What is the SMILES notation for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium?

The canonical SMILES for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium is Cn1cc(-c2cccc(N(CN=Cc3coc4oc[c-]c34)c3ccccc3)n2)c2[cH-]c[n+](C)c21.Cn1cc[c-]c1-n1ccc2ccc(-n3c4ccccc4c4ccc(-n5c6[c-]cccc6c6ccccc65)nc43)nc21.[Ni+2].[Ni+2].[Ni+2].[Ni+2].[Ni+3].[c-]1cccc2cccc(-c3cccc(N4c5ccccc5Oc5ccc(-n6c7[c-]cccc7c7ccccc76)nc54)n3)c12.[c-]1ccccc1C[PH+](CN(c1ccccc1)c1[c-]c2c(-n3[c-]ccc3)coc2o1)c1ccccc1.[c-]1coc2cccc(-c3cccc(N(c4ccccc4)c4cccc(-n5ccc6ccc[c-]c65)n4)n3)c12.

What is the InChIKey of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium?

The InChIKey is KWWDDHBXSVFIBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C38H22N4O.C35H22N6.C32H20N4O.C30H22N2O2P.C27H22N5O2.5Ni/c1-2-13-26-25(11-1)12-9-16-27(26)30-17-10-22-36(39-30)42-33-20-7-8-21-34(33)43-35-23-24-37(40-38(35)42)41-31-18-5-3-14-28(31)29-15-4-6-19-32(29)41;1-38-21-8-15-33(38)39-22-20-23-16-18-32(36-34(23)39)41-30-14-7-4-11-26(30)27-17-19-31(37-35(27)41)40-28-12-5-2-9-24(28)25-10-3-6-13-29(25)40;1-2-10-24(11-3-1)36(31-17-7-13-27(33-31)25-12-6-15-29-26(25)20-22-37-29)32-18-8-16-30(34-32)35-21-19-23-9-4-5-14-28(23)35;1-4-12-24(13-5-1)22-35(26-16-8-3-9-17-26)23-32(25-14-6-2-7-15-25)29-20-27-28(21-33-30(27)34-29)31-18-10-11-19-31;1-30-13-11-22-23(16-31(2)26(22)30)24-9-6-10-25(29-24)32(20-7-4-3-5-8-20)18-28-15-19-17-34-27-21(19)12-14-33-27;;;;;/h1-12,14-18,20-24H;2-12,14,16-22H,1H3;1-13,15-19,21-22H;1-12,14-18,21H,22-23H2;3-11,13-17H,18H2,1-2H3;;;;;/q3*-2;-3;-1;4*+2;+3/p+1.

What are the key properties of 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium?

6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium has a molecular weight of 2770.23 g/mol, XLogP of 37.21, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3H-1-benzofuran-3-id-4-yl)-N-[6-(7H-indol-7-id-1-yl)-2-pyridinyl]-N-phenylpyridin-2-amine;2-(1H-carbazol-1-id-9-yl)-9-[1-(1-methyl-3H-pyrrol-3-id-2-yl)pyrrolo[2,3-b]pyridin-6-yl]pyrido[2,3-b]indole;2-(1H-carbazol-1-id-9-yl)-10-[6-(8H-naphthalen-8-id-1-yl)-2-pyridinyl]pyrido[3,2-b][1,4]benzoxazine;6-(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-phenylpyridin-2-amine;tetrakis(nickel(2+));nickel(3+);phenyl-(phenylmethyl)-[(N-[3-(2H-pyrrol-2-id-1-yl)-4H-furo[2,3-b]furan-4-id-5-yl]anilino)methyl]phosphanium is sourced from PubChem (CID 157428001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).