7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane

C84H97ClSi2 — CID 159088196

About 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane

7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane (PubChem CID 159088196) has the molecular formula C84H97ClSi2 and a molecular weight of 1198.32 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

• Compound Name: 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane
• PubChem CID: 159088196
• Molecular Formula: C84H97ClSi2
• Molecular Weight: 1198.32 g/mol
• Exact Mass: 1196.68
• IUPAC Name: 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane
• SMILES: CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)C)c(C)c2-c1ccccc1.CC1=Cc2c(cc(C(C)C)c(C)c2-c2ccccc2)C1[Si](C)(C)Cl.CC1=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1
• InChI: InChI=1S/C42H48Si.C22H27ClSi.C20H22/c1-26(2)35-25-38-37(39(29(35)5)31-15-12-11-13-16-31)24-28(4)41(38)43(9,10)40-27(3)23-36-33(17-14-18-34(36)40)30-19-21-32(22-20-30)42(6,7)8;1-14(2)18-13-20-19(12-15(3)22(20)24(5,6)23)21(16(18)4)17-10-8-7-9-11-17;1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h11-26,40-41H,1-10H3;7-14,22H,1-6H3;5-12H,13H2,1-4H3
• InChIKey: KBSJACPESGXDTA-UHFFFAOYSA-N
• XLogP: 25.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1198.32
LogP ≤ 5	25.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane?

The IUPAC name of 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane (CID 159088196) is 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane.

What is the SMILES notation for 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane?

The canonical SMILES for 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cc(C(C)C)c(C)c2-c1ccccc1.CC1=Cc2c(cc(C(C)C)c(C)c2-c2ccccc2)C1[Si](C)(C)Cl.CC1=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c2C1.

What is the InChIKey of 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane?

The InChIKey is KBSJACPESGXDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48Si.C22H27ClSi.C20H22/c1-26(2)35-25-38-37(39(29(35)5)31-15-12-11-13-16-31)24-28(4)41(38)43(9,10)40-27(3)23-36-33(17-14-18-34(36)40)30-19-21-32(22-20-30)42(6,7)8;1-14(2)18-13-20-19(12-15(3)22(20)24(5,6)23)21(16(18)4)17-10-8-7-9-11-17;1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h11-26,40-41H,1-10H3;7-14,22H,1-6H3;5-12H,13H2,1-4H3.

What are the key properties of 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane?

7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 1198.32 g/mol, XLogP of 25.12, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-tert-butylphenyl)-2-methyl-1H-indene;[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane;chloro-(2,5-dimethyl-4-phenyl-6-propan-2-yl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 159088196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).