diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C30H36Si — CID 18686554

IUPACdiphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C30H36Si/c1-21-19-29(7,25(5)23(21)3)31(27-15-11-9-12-16-27,28-17-13-10-14-18-28)30(8)20-22(2)24(4)26(30)6/h9-20H,1-8H3
InChIKeyDTLWMMJDQLVFEO-UHFFFAOYSA-N
MW424.70 g/mol
LogP7.36
Rot. Bonds4

About diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 18686554) has the molecular formula C30H36Si and a molecular weight of 424.70 g/mol. Its IUPAC name is diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namediphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID18686554
Molecular FormulaC30H36Si
Molecular Weight424.70 g/mol
Exact Mass424.26
IUPAC Namediphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)C(C)=C1C
InChIInChI=1S/C30H36Si/c1-21-19-29(7,25(5)23(21)3)31(27-15-11-9-12-16-27,28-17-13-10-14-18-28)30(8)20-22(2)24(4)26(30)6/h9-20H,1-8H3
InChIKeyDTLWMMJDQLVFEO-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 57.36
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

bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
methyl-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473069
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473518
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473927
bis(4-butylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474111
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 139604324
(3,5-diethylphenyl)-(2-methylpropyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473039
trimethoxy-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 139699575
tris(4-methyl-2,5-diphenylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473344
(3,5-diethylphenyl)-(2,4-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473760

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 18686554) is diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2(C)C=C(C)C(C)=C2C)C(C)=C1C.
What is the InChIKey of diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is DTLWMMJDQLVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Si/c1-21-19-29(7,25(5)23(21)3)31(27-15-11-9-12-16-27,28-17-13-10-14-18-28)30(8)20-22(2)24(4)26(30)6/h9-20H,1-8H3.
What are the key properties of diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 424.70 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 18686554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).