diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane

C54H37NSi — CID 102359075

IUPACdiphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H37NSi/c1-3-13-42(14-4-1)56(43-15-5-2-6-16-43,44-28-23-38(24-29-44)40-33-35-55-36-34-40)45-30-25-39(26-31-45)41-27-32-49-48-19-9-12-22-52(48)54(53(49)37-41)50-20-10-7-17-46(50)47-18-8-11-21-51(47)54/h1-37H
InChIKeySATLPPWIUGAKRG-UHFFFAOYSA-N
MW727.98 g/mol
LogP10.14
Rot. Bonds6

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

diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane (PubChem CID 102359075) has the molecular formula C54H37NSi and a molecular weight of 727.98 g/mol. Its IUPAC name is diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane.

Molecular Properties

Compound Namediphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
PubChem CID102359075
Molecular FormulaC54H37NSi
Molecular Weight727.98 g/mol
Exact Mass727.27
IUPAC Namediphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
SMILESc1ccc([Si](c2ccccc2)(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H37NSi/c1-3-13-42(14-4-1)56(43-15-5-2-6-16-43,44-28-23-38(24-29-44)40-33-35-55-36-34-40)45-30-25-39(26-31-45)41-27-32-49-48-19-9-12-22-52(48)54(53(49)37-41)50-20-10-7-17-46(50)47-18-8-11-21-51(47)54/h1-37H
InChIKeySATLPPWIUGAKRG-UHFFFAOYSA-N
XLogP10.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.98
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

triphenyl-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane
CID 177494395
4-(17-phenylspiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-14,9'-xanthene]-11-yl)pyridine
CID 134571333
2,4-dipyridin-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130267940
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)pyridine
CID 146495231
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
4-(17'-phenylspiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl)pyridine
CID 134574227
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
CID 177115865
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

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The IUPAC name of diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane (CID 102359075) is diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane.
What is the SMILES notation for diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The canonical SMILES for diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane is c1ccc([Si](c2ccccc2)(c2ccc(-c3ccncc3)cc2)c2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
The InChIKey is SATLPPWIUGAKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NSi/c1-3-13-42(14-4-1)56(43-15-5-2-6-16-43,44-28-23-38(24-29-44)40-33-35-55-36-34-40)45-30-25-39(26-31-45)41-27-32-49-48-19-9-12-22-52(48)54(53(49)37-41)50-20-10-7-17-46(50)47-18-8-11-21-51(47)54/h1-37H.
What are the key properties of diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane?
diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane has a molecular weight of 727.98 g/mol, XLogP of 10.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(4-pyridin-4-ylphenyl)-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]silane is sourced from PubChem (CID 102359075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).