10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

C116H84Si2 — CID 161176690

About 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene

10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (PubChem CID 161176690) has the molecular formula C116H84Si2 and a molecular weight of 1534.12 g/mol. Its IUPAC name is 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• PubChem CID: 161176690
• Molecular Formula: C116H84Si2
• Molecular Weight: 1534.12 g/mol
• Exact Mass: 1532.61
• IUPAC Name: 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
• SMILES: C[Si]1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21.C[Si]1(C)c2cc(-c3ccccc3-c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21
• InChI: InChI=1S/2C58H42Si/c1-59(2)55-36-46(48-23-13-12-22-47(48)43-20-10-5-11-21-43)34-35-49(55)52-37-53-54(38-56(52)59)58(45-32-28-42(29-33-45)40-18-8-4-9-19-40)51-25-15-14-24-50(51)57(53)44-30-26-41(27-31-44)39-16-6-3-7-17-39;1-59(2)55-36-48(47-22-14-21-46(35-47)41-19-10-5-11-20-41)33-34-49(55)52-37-53-54(38-56(52)59)58(45-31-27-43(28-32-45)40-17-8-4-9-18-40)51-24-13-12-23-50(51)57(53)44-29-25-42(26-30-44)39-15-6-3-7-16-39/h2*3-38H,1-2H3
• InChIKey: URXHEOQZSYFECL-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1534.12
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The IUPAC name of 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene (CID 161176690) is 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene.

What is the SMILES notation for 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The canonical SMILES for 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is C[Si]1(C)c2cc(-c3cccc(-c4ccccc4)c3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21.C[Si]1(C)c2cc(-c3ccccc3-c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21.

What is the InChIKey of 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

The InChIKey is URXHEOQZSYFECL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H42Si/c1-59(2)55-36-46(48-23-13-12-22-47(48)43-20-10-5-11-21-43)34-35-49(55)52-37-53-54(38-56(52)59)58(45-32-28-42(29-33-45)40-18-8-4-9-19-40)51-25-15-14-24-50(51)57(53)44-30-26-41(27-31-44)39-16-6-3-7-17-39;1-59(2)55-36-48(47-22-14-21-46(35-47)41-19-10-5-11-20-41)33-34-49(55)52-37-53-54(38-56(52)59)58(45-31-27-43(28-32-45)40-17-8-4-9-18-40)51-24-13-12-23-50(51)57(53)44-29-25-42(26-30-44)39-15-6-3-7-16-39/h2*3-38H,1-2H3.

What are the key properties of 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene?

10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene has a molecular weight of 1534.12 g/mol, XLogP of 29.60, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7-(2-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;10,10-dimethyl-7-(3-phenylphenyl)-14,21-bis(4-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene is sourced from PubChem (CID 161176690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).