16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium

C152H136Br2Cl4I7K2N14Pt2V- — CID 158644171

About 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium

16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium (PubChem CID 158644171) has the molecular formula C152H136Br2Cl4I7K2N14Pt2V- and a molecular weight of 3868.10 g/mol. Its IUPAC name is 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium.

Molecular Properties

• Compound Name: 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium
• PubChem CID: 158644171
• Molecular Formula: C152H136Br2Cl4I7K2N14Pt2V-
• Molecular Weight: 3868.10 g/mol
• Exact Mass: 3861.95
• IUPAC Name: 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium
• SMILES: Brc1cccc(-c2ccccn2)c1.C.CC(I)(I)I.CC(I)I.CC1(C)c2cc(Br)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N(c3cccc(-c4ccccn4)c3)c3cccc(-c4ccccn4)c3)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N)ccc2-n2c3ccccc3c3cccc1c32.CCI.CNCCNC.C[CH-]I.Cl[Pt](Cl)(Cl)Cl.[K][K].[Pt+2].[V]
• InChI: InChI=1S/C43H32N4.C43H30N4.C21H16BrN.C21H18N2.C11H8BrN.C4H12N2.C2H3I3.C2H4I2.C2H5I.C2H4I.CH4.4ClH.2K.2Pt.V/c2*1-43(2)36-18-11-17-35-34-16-3-4-21-40(34)47(42(35)36)41-23-22-33(28-37(41)43)46(31-14-9-12-29(26-31)38-19-5-7-24-44-38)32-15-10-13-30(27-32)39-20-6-8-25-45-39;2*1-21(2)16-8-5-7-15-14-6-3-4-9-18(14)23(20(15)16)19-11-10-13(22)12-17(19)21;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-5-3-4-6-2;1-2(3,4)5;1-2(3)4;2*1-2-3;;;;;;;;;;/h3-28H,1-2H3;3-25,28H,1-2H3;3-12H,1-2H3;3-12H,22H2,1-2H3;1-8H;5-6H,3-4H2,1-2H3;1H3;2H,1H3;2H2,1H3;2H,1H3;1H4;4*1H;;;;;/q;-2;;;;;;;;-1;;;;;;;;+2;+4;/p-4
• InChIKey: YADOJVJEGSWKGH-UHFFFAOYSA-J
• XLogP: 46.60
• TPSA: 140.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3868.10
LogP ≤ 5	46.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium?

The IUPAC name of 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium (CID 158644171) is 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium.

What is the SMILES notation for 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium?

The canonical SMILES for 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium is Brc1cccc(-c2ccccn2)c1.C.CC(I)(I)I.CC(I)I.CC1(C)c2cc(Br)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N(c3cccc(-c4ccccn4)c3)c3cccc(-c4ccccn4)c3)ccc2-n2c3ccccc3c3cccc1c32.CC1(C)c2cc(N)ccc2-n2c3ccccc3c3cccc1c32.CCI.CNCCNC.C[CH-]I.Cl[Pt](Cl)(Cl)Cl.[K][K].[Pt+2].[V].

What is the InChIKey of 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium?

The InChIKey is YADOJVJEGSWKGH-UHFFFAOYSA-J. The full InChI is InChI=1S/C43H32N4.C43H30N4.C21H16BrN.C21H18N2.C11H8BrN.C4H12N2.C2H3I3.C2H4I2.C2H5I.C2H4I.CH4.4ClH.2K.2Pt.V/c2*1-43(2)36-18-11-17-35-34-16-3-4-21-40(34)47(42(35)36)41-23-22-33(28-37(41)43)46(31-14-9-12-29(26-31)38-19-5-7-24-44-38)32-15-10-13-30(27-32)39-20-6-8-25-45-39;2*1-21(2)16-8-5-7-15-14-6-3-4-9-18(14)23(20(15)16)19-11-10-13(22)12-17(19)21;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-5-3-4-6-2;1-2(3,4)5;1-2(3)4;2*1-2-3;;;;;;;;;;/h3-28H,1-2H3;3-25,28H,1-2H3;3-12H,1-2H3;3-12H,22H2,1-2H3;1-8H;5-6H,3-4H2,1-2H3;1H3;2H,1H3;2H2,1H3;2H,1H3;1H4;4*1H;;;;;/q;-2;;;;;;;;-1;;;;;;;;+2;+4;/p-4.

What are the key properties of 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium?

16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium has a molecular weight of 3868.10 g/mol, XLogP of 46.60, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 16-bromo-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;2-(3-bromophenyl)pyridine;1,1-diiodoethane;13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;13,13-dimethyl-N,N-bis(3-pyridin-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-amine;N,N'-dimethylethane-1,2-diamine;iodoethane;iodoethane;methane;platinum(2+);potassiopotassium;tetrachloroplatinum;1,1,1-triiodoethane;vanadium is sourced from PubChem (CID 158644171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).