12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C86H92N2Si4 — CID 140862634

About 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 140862634) has the molecular formula C86H92N2Si4 and a molecular weight of 1266.04 g/mol. Its IUPAC name is 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

• Compound Name: 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• PubChem CID: 140862634
• Molecular Formula: C86H92N2Si4
• Molecular Weight: 1266.04 g/mol
• Exact Mass: 1264.63
• IUPAC Name: 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
• SMILES: CC(C)(C)C1(C2(C(C)(C)C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2ccccc32)c2ccc3ccccc3c2-c2c1cc(N(c1ccc([Si](C)(C)C)cc1)c1ccc([Si](C)(C)C)cc1)c1ccccc21
• InChI: InChI=1S/C86H92N2Si4/c1-83(2,3)85(73-53-35-57-27-19-21-29-67(57)79(73)81-71-33-25-23-31-69(71)77(55-75(81)85)87(59-37-45-63(46-38-59)89(7,8)9)60-39-47-64(48-40-60)90(10,11)12)86(84(4,5)6)74-54-36-58-28-20-22-30-68(58)80(74)82-72-34-26-24-32-70(72)78(56-76(82)86)88(61-41-49-65(50-42-61)91(13,14)15)62-43-51-66(52-44-62)92(16,17)18/h19-56H,1-18H3
• InChIKey: AORZOBMQZXRRTJ-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1266.04
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The IUPAC name of 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 140862634) is 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

What is the SMILES notation for 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The canonical SMILES for 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is CC(C)(C)C1(C2(C(C)(C)C)c3ccc4ccccc4c3-c3c2cc(N(c2ccc([Si](C)(C)C)cc2)c2ccc([Si](C)(C)C)cc2)c2ccccc32)c2ccc3ccccc3c2-c2c1cc(N(c1ccc([Si](C)(C)C)cc1)c1ccc([Si](C)(C)C)cc1)c1ccccc21.

What is the InChIKey of 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

The InChIKey is AORZOBMQZXRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H92N2Si4/c1-83(2,3)85(73-53-35-57-27-19-21-29-67(57)79(73)81-71-33-25-23-31-69(71)77(55-75(81)85)87(59-37-45-63(46-38-59)89(7,8)9)60-39-47-64(48-40-60)90(10,11)12)86(84(4,5)6)74-54-36-58-28-20-22-30-68(58)80(74)82-72-34-26-24-32-70(72)78(56-76(82)86)88(61-41-49-65(50-42-61)91(13,14)15)62-43-51-66(52-44-62)92(16,17)18/h19-56H,1-18H3.

What are the key properties of 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?

12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 1266.04 g/mol, XLogP of 22.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12-tert-butyl-12-[12-tert-butyl-9-(4-trimethylsilyl-N-(4-trimethylsilylphenyl)anilino)-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]-N,N-bis(4-trimethylsilylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 140862634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).