triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane

C49H34Si — CID 177494395

IUPACtriphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C49H34Si/c1-4-16-37(17-5-1)50(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-31-28-35(29-32-40)36-30-33-44-43-24-12-15-27-47(43)49(48(44)34-36)45-25-13-10-22-41(45)42-23-11-14-26-46(42)49/h1-34H
InChIKeyCNZJOCGLKZHFTP-UHFFFAOYSA-N
MW650.90 g/mol
LogP9.07
Rot. Bonds5

About triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane

triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane (PubChem CID 177494395) has the molecular formula C49H34Si and a molecular weight of 650.90 g/mol. Its IUPAC name is triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane.

Molecular Properties

Compound Nametriphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
PubChem CID177494395
Molecular FormulaC49H34Si
Molecular Weight650.90 g/mol
Exact Mass650.24
IUPAC Nametriphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C49H34Si/c1-4-16-37(17-5-1)50(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-31-28-35(29-32-40)36-30-33-44-43-24-12-15-27-47(43)49(48(44)34-36)45-25-13-10-22-41(45)42-23-11-14-26-46(42)49/h1-34H
InChIKeyCNZJOCGLKZHFTP-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.90
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 102359075
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
tetrakis(9,9'-spirobi[fluorene]-2-yl)silane
CID 21032480
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-[4-[phenyl-(4-phenylphenyl)methyl]phenyl]-9,9'-spirobi[fluorene]
CID 155616798
9,9-dimethyl-N-phenyl-N-[3-(4-triphenylsilylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 174022799
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The IUPAC name of triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane (CID 177494395) is triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane.
What is the SMILES notation for triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The canonical SMILES for triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The InChIKey is CNZJOCGLKZHFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34Si/c1-4-16-37(17-5-1)50(38-18-6-2-7-19-38,39-20-8-3-9-21-39)40-31-28-35(29-32-40)36-30-33-44-43-24-12-15-27-47(43)49(48(44)34-36)45-25-13-10-22-41(45)42-23-11-14-26-46(42)49/h1-34H.
What are the key properties of triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane has a molecular weight of 650.90 g/mol, XLogP of 9.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane is sourced from PubChem (CID 177494395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).