5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

C88H68N2Si — CID 140756955

About 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine

5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (PubChem CID 140756955) has the molecular formula C88H68N2Si and a molecular weight of 1181.61 g/mol. Its IUPAC name is 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

Molecular Properties

• Compound Name: 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• PubChem CID: 140756955
• Molecular Formula: C88H68N2Si
• Molecular Weight: 1181.61 g/mol
• Exact Mass: 1180.52
• IUPAC Name: 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)[Si](C)(C)c3cccc5c3c-4cc3ccc(N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc35)cc21
• InChI: InChI=1S/C88H68N2Si/c1-87(2)80-35-21-19-32-72(80)74-43-40-67(54-82(74)87)89(70-48-62(57-24-11-7-12-25-57)46-63(49-70)58-26-13-8-14-27-58)66-39-38-61-52-79-76-45-42-69(56-85(76)91(5,6)84-37-23-34-77(86(79)84)78(61)53-66)90(68-41-44-75-73-33-20-22-36-81(73)88(3,4)83(75)55-68)71-50-64(59-28-15-9-16-29-59)47-65(51-71)60-30-17-10-18-31-60/h7-56H,1-6H3
• InChIKey: WYDHDNWTDKOOBP-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1181.61
LogP ≤ 5	23.02
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 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The IUPAC name of 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine (CID 140756955) is 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine.

What is the SMILES notation for 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The canonical SMILES for 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)[Si](C)(C)c3cccc5c3c-4cc3ccc(N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)cc35)cc21.

What is the InChIKey of 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

The InChIKey is WYDHDNWTDKOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H68N2Si/c1-87(2)80-35-21-19-32-72(80)74-43-40-67(54-82(74)87)89(70-48-62(57-24-11-7-12-25-57)46-63(49-70)58-26-13-8-14-27-58)66-39-38-61-52-79-76-45-42-69(56-85(76)91(5,6)84-37-23-34-77(86(79)84)78(61)53-66)90(68-41-44-75-73-33-20-22-36-81(73)88(3,4)83(75)55-68)71-50-64(59-28-15-9-16-29-59)47-65(51-71)60-30-17-10-18-31-60/h7-56H,1-6H3.

What are the key properties of 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine?

5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine has a molecular weight of 1181.61 g/mol, XLogP of 23.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,16-N-bis(9,9-dimethylfluoren-2-yl)-5-N,16-N-bis(3,5-diphenylphenyl)-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine is sourced from PubChem (CID 140756955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).