(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane

C27H32Si — CID 139716355

IUPAC(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(C)C1=CC(C(C)(C)C)=CC1
InChIInChI=1S/C27H32Si/c1-19-17-25-23(20-11-8-7-9-12-20)13-10-14-24(25)26(19)28(5,6)22-16-15-21(18-22)27(2,3)4/h7-15,17-18,26H,16H2,1-6H3
InChIKeyUSKNMQZDZQAXGC-UHFFFAOYSA-N
MW384.64 g/mol
LogP7.94
Rot. Bonds3

About (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane

(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane (PubChem CID 139716355) has the molecular formula C27H32Si and a molecular weight of 384.64 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane
PubChem CID139716355
Molecular FormulaC27H32Si
Molecular Weight384.64 g/mol
Exact Mass384.23
IUPAC Name(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane
SMILESCC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(C)C1=CC(C(C)(C)C)=CC1
InChIInChI=1S/C27H32Si/c1-19-17-25-23(20-11-8-7-9-12-20)13-10-14-24(25)26(19)28(5,6)22-16-15-21(18-22)27(2,3)4/h7-15,17-18,26H,16H2,1-6H3
InChIKeyUSKNMQZDZQAXGC-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.64
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
(2-methyl-4-phenyl-1H-inden-1-yl)-diphenyl-(2,3,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 139774717
(3-tert-butylcyclopenta-1,3-dien-1-yl)-(1H-inden-1-yl)-dimethylsilane
CID 139716357
(2-ethyl-4-phenyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140672926
bis(4-tert-butyl-2-methyl-1H-inden-1-yl)-dimethylsilane;dimethyl-bis(2-methyl-4-propan-2-yl-1H-inden-1-yl)silane;2-methyl-1-[(2-methyl-4-phenyl-1H-inden-1-yl)methyl]-4-phenyl-1H-indene;2-methyl-1-[2-(2-methyl-4-phenyl-1H-inden-1-yl)propan-2-yl]-4-phenyl-1H-indene
CID 160862055
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
bis[4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-inden-1-yl]-dimethylsilane
CID 12009760
CID 69304218
CID 69304218
bis[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-dimethylgermane
CID 22994910
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-methylphenyl)silane
CID 140588612
dibutyl-[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-yl]silane
CID 162291107
chloro-methyl-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)-phenylsilane
CID 57186607

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane?
The IUPAC name of (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane (CID 139716355) is (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane.
What is the SMILES notation for (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane?
The canonical SMILES for (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane is CC1=Cc2c(-c3ccccc3)cccc2C1[Si](C)(C)C1=CC(C(C)(C)C)=CC1.
What is the InChIKey of (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane?
The InChIKey is USKNMQZDZQAXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Si/c1-19-17-25-23(20-11-8-7-9-12-20)13-10-14-24(25)26(19)28(5,6)22-16-15-21(18-22)27(2,3)4/h7-15,17-18,26H,16H2,1-6H3.
What are the key properties of (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane?
(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane has a molecular weight of 384.64 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethyl-(2-methyl-4-phenyl-1H-inden-1-yl)silane is sourced from PubChem (CID 139716355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).