(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

C42H48Si — CID 139604324

IUPAC(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C(C)=C1C
InChIInChI=1S/C42H48Si/c1-28-27-42(10,30(3)29(28)2)43(33-17-13-11-14-18-33,34-19-15-12-16-20-34)39-37-25-31(40(4,5)6)21-23-35(37)36-24-22-32(26-38(36)39)41(7,8)9/h11-27,39H,1-10H3
InChIKeyGJZMOEYJANSTBE-UHFFFAOYSA-N
MW580.93 g/mol
LogP10.25
Rot. Bonds4

About (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane

(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139604324) has the molecular formula C42H48Si and a molecular weight of 580.93 g/mol. Its IUPAC name is (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139604324
Molecular FormulaC42H48Si
Molecular Weight580.93 g/mol
Exact Mass580.35
IUPAC Name(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C(C)=C1C
InChIInChI=1S/C42H48Si/c1-28-27-42(10,30(3)29(28)2)43(33-17-13-11-14-18-33,34-19-15-12-16-20-34)39-37-25-31(40(4,5)6)21-23-35(37)36-24-22-32(26-38(36)39)41(7,8)9/h11-27,39H,1-10H3
InChIKeyGJZMOEYJANSTBE-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.93
LogP ≤ 510.25
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

diphenyl-bis(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18686554
tert-butyl-(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473927
(2,7-ditert-butyl-9H-fluoren-9-yl)-(1H-inden-1-yl)-diphenylsilane
CID 102398546
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
bis(2,3-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473659
(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)-tris(2,3,5,6-tetraphenylphenyl)silane
CID 173473215
octadecyl-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473518
(3,5-diethylphenyl)-(4-methylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173473874
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
2,7-ditert-butyl-9-[cyclopenta-2,4-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 101338672
2,10-ditert-butyltetraphenylene
CID 159208403
(2,7-ditert-butyl-9H-fluoren-9-yl)-diethyl-(3-methyl-2-prop-2-enoxyphenyl)silane
CID 69233636

Frequently Asked Questions

What is the IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 139604324) is (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=CC(C)([Si](c2ccccc2)(c2ccccc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C(C)=C1C.
What is the InChIKey of (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is GJZMOEYJANSTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48Si/c1-28-27-42(10,30(3)29(28)2)43(33-17-13-11-14-18-33,34-19-15-12-16-20-34)39-37-25-31(40(4,5)6)21-23-35(37)36-24-22-32(26-38(36)39)41(7,8)9/h11-27,39H,1-10H3.
What are the key properties of (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 580.93 g/mol, XLogP of 10.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-ditert-butyl-9H-fluoren-9-yl)-diphenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139604324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).