(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene

C96H121ClO2Si2 — CID 158797968

IUPAC(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
SMILESCC1=Cc2c(cc(C(C)(C)C)c(C)c2-c2ccccc2)C1[Si](C)(C)Cl.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc(C)c21.COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2
InChIInChI=1S/C48H60OSi.C25H32O.C23H29ClSi/c1-29-21-22-36(33-25-34(46(4,5)6)27-35(26-33)47(7,8)9)37-24-31(3)45(41(29)37)50(14,15)44-30(2)23-38-39(44)28-40(48(10,11)12)43(49-13)42(38)32-19-17-16-18-20-32;1-16-11-21-20(9-10-23(26-8)22(21)12-16)17-13-18(24(2,3)4)15-19(14-17)25(5,6)7;1-15-13-18-19(22(15)25(6,7)24)14-20(23(3,4)5)16(2)21(18)17-11-9-8-10-12-17/h16-28,44-45H,1-15H3;9-10,12-15H,11H2,1-8H3;8-14,22H,1-7H3
InChIKeyITCICXLMTJSCCW-UHFFFAOYSA-N
MW1398.65 g/mol
LogP28.08
Rot. Bonds9

About (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene

(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene (PubChem CID 158797968) has the molecular formula C96H121ClO2Si2 and a molecular weight of 1398.65 g/mol. Its IUPAC name is (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene.

Molecular Properties

Compound Name(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
PubChem CID158797968
Molecular FormulaC96H121ClO2Si2
Molecular Weight1398.65 g/mol
Exact Mass1396.86
IUPAC Name(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene
SMILESCC1=Cc2c(cc(C(C)(C)C)c(C)c2-c2ccccc2)C1[Si](C)(C)Cl.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc(C)c21.COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2
InChIInChI=1S/C48H60OSi.C25H32O.C23H29ClSi/c1-29-21-22-36(33-25-34(46(4,5)6)27-35(26-33)47(7,8)9)37-24-31(3)45(41(29)37)50(14,15)44-30(2)23-38-39(44)28-40(48(10,11)12)43(49-13)42(38)32-19-17-16-18-20-32;1-16-11-21-20(9-10-23(26-8)22(21)12-16)17-13-18(24(2,3)4)15-19(14-17)25(5,6)7;1-15-13-18-19(22(15)25(6,7)24)14-20(23(3,4)5)16(2)21(18)17-11-9-8-10-12-17/h16-28,44-45H,1-15H3;9-10,12-15H,11H2,1-8H3;8-14,22H,1-7H3
InChIKeyITCICXLMTJSCCW-UHFFFAOYSA-N
XLogP28.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001398.65
LogP ≤ 528.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene with MolForge

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Launch Full Analysis

Related Compounds

[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
CID 71231056
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane
CID 71231037
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
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
CID 153406054
[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
CID 90229254
chloro-(5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-dimethylsilane
CID 90243386
7-(3,5-ditert-butylphenyl)-2,4-dimethyl-1H-indene
CID 123862995
[6-tert-butyl-4-(3,5-dimethylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2-methyl-1,5,6,7-tetrahydro-s-indacen-1-yl]-dimethylsilane
CID 153321039
6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-indene;ethane
CID 144649279
7-(3-tert-butyl-5-propan-2-ylphenyl)-4-methoxy-2-methyl-1H-indene
CID 123867978
[6-tert-butyl-4-(3,5-dimethylphenyl)-2,5-dimethyl-1H-inden-1-yl]-[4-(3,5-dimethylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane
CID 157228522
[4-(3,5-ditert-butyl-4-methoxyphenyl)-2-methyl-1,5,6,7,8,9-hexahydrocyclohepta[f]inden-1-yl]-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 178126142

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene?
The IUPAC name of (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene (CID 158797968) is (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene.
What is the SMILES notation for (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene?
The canonical SMILES for (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene is CC1=Cc2c(cc(C(C)(C)C)c(C)c2-c2ccccc2)C1[Si](C)(C)Cl.COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc(C)c21.COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2.
What is the InChIKey of (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene?
The InChIKey is ITCICXLMTJSCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60OSi.C25H32O.C23H29ClSi/c1-29-21-22-36(33-25-34(46(4,5)6)27-35(26-33)47(7,8)9)37-24-31(3)45(41(29)37)50(14,15)44-30(2)23-38-39(44)28-40(48(10,11)12)43(49-13)42(38)32-19-17-16-18-20-32;1-16-11-21-20(9-10-23(26-8)22(21)12-16)17-13-18(24(2,3)4)15-19(14-17)25(5,6)7;1-15-13-18-19(22(15)25(6,7)24)14-20(23(3,4)5)16(2)21(18)17-11-9-8-10-12-17/h16-28,44-45H,1-15H3;9-10,12-15H,11H2,1-8H3;8-14,22H,1-7H3.
What are the key properties of (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene?
(6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene has a molecular weight of 1398.65 g/mol, XLogP of 28.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-2,5-dimethyl-4-phenyl-1H-inden-1-yl)-chloro-dimethylsilane;(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)-[4-(3,5-ditert-butylphenyl)-2,7-dimethyl-1H-inden-1-yl]-dimethylsilane;7-(3,5-ditert-butylphenyl)-4-methoxy-2-methyl-1H-indene is sourced from PubChem (CID 158797968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).