5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))

C157H164BN21O4Pt3S2 — CID 160920875

About 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))

5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)) (PubChem CID 160920875) has the molecular formula C157H164BN21O4Pt3S2 and a molecular weight of 3075.40 g/mol. Its IUPAC name is 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)).

Molecular Properties

• Compound Name: 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))
• PubChem CID: 160920875
• Molecular Formula: C157H164BN21O4Pt3S2
• Molecular Weight: 3075.40 g/mol
• Exact Mass: 3073.21
• IUPAC Name: 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))
• SMILES: C/C=C\N(C)[CH-]Nc1[c-]c(N2C=CN(C)[CH-]2)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1c(cccc1N2c1ccccc1)[N-]4.Cc1ccccc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.O=S1(=O)c2ccccc2[N-]c2ccccc21.O=S1(=O)c2ccccc2[N-]c2ccccc21.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3nccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1nccnc1C.[Pt+4].[Pt+4].[Pt+4]
• InChI: InChI=1S/C38H45N4.C34H41N8.C31H21BN3.C30H41N4.2C12H8NO2S.3Pt/c1-25(2)29-20-33(26(3)4)38(34(21-29)27(5)6)30-18-31(39-23-40(8)35-15-11-10-14-28(35)7)22-32(19-30)42-24-41(9)36-16-12-13-17-37(36)42;1-21(2)25-16-29(22(3)4)31(30(17-25)23(5)6)26-14-27(39-19-40(8)32-24(7)35-10-11-36-32)18-28(15-26)42-20-41(9)33-34(42)38-13-12-37-33;1-20-18-27-31-28(19-20)35(22-12-6-3-7-13-22)26-17-9-15-24-30(26)32(31)29-23(33-24)14-8-16-25(29)34(27)21-10-4-2-5-11-21;1-10-11-32(8)19-31-26-14-25(15-27(18-26)34-13-12-33(9)20-34)30-28(22(4)5)16-24(21(2)3)17-29(30)23(6)7;2*14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16;;;/h10-21,23-27,39H,1-9H3;10-17,19-23,39H,1-9H3;2-19H,1H3;10-17,19-23,31H,1-9H3;2*1-8H;;;/q2*-3;-1;-3;2*-1;3*+4/b;;;11-10-;;;;;/i;8D3,9D3
• InChIKey: ULZPQBFFZDJYCI-RYRDHUGGSA-N
• XLogP: 38.92
• TPSA: 233.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3075.40
LogP ≤ 5	38.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))?

The IUPAC name of 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)) (CID 160920875) is 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)).

What is the SMILES notation for 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))?

The canonical SMILES for 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)) is C/C=C\N(C)[CH-]Nc1[c-]c(N2C=CN(C)[CH-]2)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.Cc1cc2c3c(c1)N(c1ccccc1)c1cccc4c1B3c1c(cccc1N2c1ccccc1)[N-]4.Cc1ccccc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3ccccc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.O=S1(=O)c2ccccc2[N-]c2ccccc21.O=S1(=O)c2ccccc2[N-]c2ccccc21.[2H]C([2H])([2H])N([CH-]Nc1[c-]c(N2[CH-]N(C([2H])([2H])[2H])c3nccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1)c1nccnc1C.[Pt+4].[Pt+4].[Pt+4].

What is the InChIKey of 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))?

The InChIKey is ULZPQBFFZDJYCI-RYRDHUGGSA-N. The full InChI is InChI=1S/C38H45N4.C34H41N8.C31H21BN3.C30H41N4.2C12H8NO2S.3Pt/c1-25(2)29-20-33(26(3)4)38(34(21-29)27(5)6)30-18-31(39-23-40(8)35-15-11-10-14-28(35)7)22-32(19-30)42-24-41(9)36-16-12-13-17-37(36)42;1-21(2)25-16-29(22(3)4)31(30(17-25)23(5)6)26-14-27(39-19-40(8)32-24(7)35-10-11-36-32)18-28(15-26)42-20-41(9)33-34(42)38-13-12-37-33;1-20-18-27-31-28(19-20)35(22-12-6-3-7-13-22)26-17-9-15-24-30(26)32(31)29-23(33-24)14-8-16-25(29)34(27)21-10-4-2-5-11-21;1-10-11-32(8)19-31-26-14-25(15-27(18-26)34-13-12-33(9)20-34)30-28(22(4)5)16-24(21(2)3)17-29(30)23(6)7;2*14-16(15)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)16;;;/h10-21,23-27,39H,1-9H3;10-17,19-23,39H,1-9H3;2-19H,1H3;10-17,19-23,31H,1-9H3;2*1-8H;;;/q2*-3;-1;-3;2*-1;3*+4/b;;;11-10-;;;;;/i;8D3,9D3;;;;;;;.

What are the key properties of 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+))?

5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)) has a molecular weight of 3075.40 g/mol, XLogP of 38.92, 31 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-8,22-diphenyl-8,22-diaza-14-azanida-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene;N'-methyl-N-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methylphenyl)methanediamine;N'-methyl-N-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-[(Z)-prop-1-enyl]methanediamine;N'-(3-methylpyrazin-2-yl)-N'-(trideuteriomethyl)-N-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]methanediamine;bis(phenothiazin-10-ide 5,5-dioxide);tris(platinum(4+)) is sourced from PubChem (CID 160920875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).