9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine

C75H88N2Si2 — CID 140738019

About 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine

9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine (PubChem CID 140738019) has the molecular formula C75H88N2Si2 and a molecular weight of 1073.71 g/mol. Its IUPAC name is 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
• PubChem CID: 140738019
• Molecular Formula: C75H88N2Si2
• Molecular Weight: 1073.71 g/mol
• Exact Mass: 1072.65
• IUPAC Name: 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
• SMILES: C[Si](C)(C)C1([Si](C)(C)C)c2cc3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)ccc3cc2-c2c1cc(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)c1ccccc21
• InChI: InChI=1S/C75H88N2Si2/c1-78(2,3)75(79(4,5)6)71-51-62-49-67(76(63-40-31-57(32-41-63)53-21-11-7-12-22-53)64-42-33-58(34-43-64)54-23-13-8-14-24-54)48-39-61(62)50-70(71)74-69-30-20-19-29-68(69)73(52-72(74)75)77(65-44-35-59(36-45-65)55-25-15-9-16-26-55)66-46-37-60(38-47-66)56-27-17-10-18-28-56/h19-20,29-56H,7-18,21-28H2,1-6H3
• InChIKey: GMLJMMKASOAZKE-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.71
LogP ≤ 5	23.14
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 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?

The IUPAC name of 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine (CID 140738019) is 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine.

What is the SMILES notation for 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?

The canonical SMILES for 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine is C[Si](C)(C)C1([Si](C)(C)C)c2cc3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)ccc3cc2-c2c1cc(N(c1ccc(C3CCCCC3)cc1)c1ccc(C3CCCCC3)cc1)c1ccccc21.

What is the InChIKey of 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?

The InChIKey is GMLJMMKASOAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H88N2Si2/c1-78(2,3)75(79(4,5)6)71-51-62-49-67(76(63-40-31-57(32-41-63)53-21-11-7-12-22-53)64-42-33-58(34-43-64)54-23-13-8-14-24-54)48-39-61(62)50-70(71)74-69-30-20-19-29-68(69)73(52-72(74)75)77(65-44-35-59(36-45-65)55-25-15-9-16-26-55)66-46-37-60(38-47-66)56-27-17-10-18-28-56/h19-20,29-56H,7-18,21-28H2,1-6H3.

What are the key properties of 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?

9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine has a molecular weight of 1073.71 g/mol, XLogP of 23.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,17-N,17-N-tetrakis(4-cyclohexylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine is sourced from PubChem (CID 140738019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).