2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane

C100H112Br2N2Si3 — CID 161126826

About 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane

2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane (PubChem CID 161126826) has the molecular formula C100H112Br2N2Si3 and a molecular weight of 1586.08 g/mol. Its IUPAC name is 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane
• PubChem CID: 161126826
• Molecular Formula: C100H112Br2N2Si3
• Molecular Weight: 1586.08 g/mol
• Exact Mass: 1582.65
• IUPAC Name: 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane
• SMILES: CC(C)c1cc(Br)c2cc3c4c(cc(Br)c5ccc1c2c54)CCC3(C)C.Cc1cccc(C)c1Cc1ccc([Si](C)(C)C)cc1.Cc1cccc(C)c1N(c1ccc([Si](C)(C)C)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc([Si](C)(C)C)cc4)c4c(C)cccc4C)cc4c5c(cc1c2c35)C(C)(C)CC4
• InChI: InChI=1S/C58H66N2Si2.C24H22Br2.C18H24Si/c1-36(2)48-35-52(60(57-39(5)19-16-20-40(57)6)43-23-27-45(28-24-43)62(12,13)14)49-34-50-53-41(31-32-58(50,7)8)33-51(47-30-29-46(48)54(49)55(47)53)59(56-37(3)17-15-18-38(56)4)42-21-25-44(26-22-42)61(9,10)11;1-12(2)16-11-20(26)17-10-18-21-13(7-8-24(18,3)4)9-19(25)15-6-5-14(16)22(17)23(15)21;1-14-7-6-8-15(2)18(14)13-16-9-11-17(12-10-16)19(3,4)5/h15-30,33-36H,31-32H2,1-14H3;5-6,9-12H,7-8H2,1-4H3;6-12H,13H2,1-5H3
• InChIKey: ULRBPQKYLNHPCD-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1586.08
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane?

The IUPAC name of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane (CID 161126826) is 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane.

What is the SMILES notation for 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane?

The canonical SMILES for 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane is CC(C)c1cc(Br)c2cc3c4c(cc(Br)c5ccc1c2c54)CCC3(C)C.Cc1cccc(C)c1Cc1ccc([Si](C)(C)C)cc1.Cc1cccc(C)c1N(c1ccc([Si](C)(C)C)cc1)c1cc(C(C)C)c2ccc3c(N(c4ccc([Si](C)(C)C)cc4)c4c(C)cccc4C)cc4c5c(cc1c2c35)C(C)(C)CC4.

What is the InChIKey of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane?

The InChIKey is ULRBPQKYLNHPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H66N2Si2.C24H22Br2.C18H24Si/c1-36(2)48-35-52(60(57-39(5)19-16-20-40(57)6)43-23-27-45(28-24-43)62(12,13)14)49-34-50-53-41(31-32-58(50,7)8)33-51(47-30-29-46(48)54(49)55(47)53)59(56-37(3)17-15-18-38(56)4)42-21-25-44(26-22-42)61(9,10)11;1-12(2)16-11-20(26)17-10-18-21-13(7-8-24(18,3)4)9-19(25)15-6-5-14(16)22(17)23(15)21;1-14-7-6-8-15(2)18(14)13-16-9-11-17(12-10-16)19(3,4)5/h15-30,33-36H,31-32H2,1-14H3;5-6,9-12H,7-8H2,1-4H3;6-12H,13H2,1-5H3.

What are the key properties of 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane?

2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane has a molecular weight of 1586.08 g/mol, XLogP of 29.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,9-N-bis(2,6-dimethylphenyl)-14,14-dimethyl-4-propan-2-yl-2-N,9-N-bis(4-trimethylsilylphenyl)pentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene-2,9-diamine;2,9-dibromo-14,14-dimethyl-4-propan-2-ylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(19),2,4,6,8,10,15,17-octaene;[4-[(2,6-dimethylphenyl)methyl]phenyl]-trimethylsilane is sourced from PubChem (CID 161126826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).