8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene

About 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene

8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene (PubChem CID 70886115) has the molecular formula C40H39NSi and a molecular weight of 561.85 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene.

Molecular Properties

Compound Name	8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
PubChem CID	70886115
Molecular Formula	C40H39NSi
Molecular Weight	561.85 g/mol
Exact Mass	561.29
IUPAC Name	8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene
SMILES	CC1(C)C2=C(C=CC(c3ccc4c(c3)-c3ccccc3[Si]43CCCC3)C2)N2c3ccccc3C(C)(C)c3cccc1c32
InChI	InChI=1S/C40H39NSi/c1-39(2)30-13-6-7-16-34(30)41-35-20-18-27(25-33(35)40(3,4)32-15-11-14-31(39)38(32)41)26-19-21-37-29(24-26)28-12-5-8-17-36(28)42(37)22-9-10-23-42/h5-8,11-21,24,27H,9-10,22-23,25H2,1-4H3
InChIKey	PCACVKVGTPMWKO-UHFFFAOYSA-N
XLogP	9.09
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.85
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The IUPAC name of 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene (CID 70886115) is 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene.

What is the SMILES notation for 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The canonical SMILES for 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene is CC1(C)C2=C(C=CC(c3ccc4c(c3)-c3ccccc3[Si]43CCCC3)C2)N2c3ccccc3C(C)(C)c3cccc1c32.

What is the InChIKey of 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

The InChIKey is PCACVKVGTPMWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39NSi/c1-39(2)30-13-6-7-16-34(30)41-35-20-18-27(25-33(35)40(3,4)32-15-11-14-31(39)38(32)41)26-19-21-37-29(24-26)28-12-5-8-17-36(28)42(37)22-9-10-23-42/h5-8,11-21,24,27H,9-10,22-23,25H2,1-4H3.

What are the key properties of 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene?

8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene has a molecular weight of 561.85 g/mol, XLogP of 9.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14-tetramethyl-17-spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),18-octaene is sourced from PubChem (CID 70886115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).