diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane

C56H40Si — CID 177495996

IUPACdiphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
SMILESc1ccc(-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H40Si/c1-5-17-41(18-6-1)49-37-39-51(55-27-15-13-25-53(49)55)43-29-33-47(34-30-43)57(45-21-9-3-10-22-45,46-23-11-4-12-24-46)48-35-31-44(32-36-48)52-40-38-50(42-19-7-2-8-20-42)54-26-14-16-28-56(52)54/h1-40H
InChIKeyHNXYWWLLUDBECX-UHFFFAOYSA-N
MW741.02 g/mol
LogP12.04
Rot. Bonds8

About diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane

diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane (PubChem CID 177495996) has the molecular formula C56H40Si and a molecular weight of 741.02 g/mol. Its IUPAC name is diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane.

Molecular Properties

Compound Namediphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
PubChem CID177495996
Molecular FormulaC56H40Si
Molecular Weight741.02 g/mol
Exact Mass740.29
IUPAC Namediphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
SMILESc1ccc(-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H40Si/c1-5-17-41(18-6-1)49-37-39-51(55-27-15-13-25-53(49)55)43-29-33-47(34-30-43)57(45-21-9-3-10-22-45,46-23-11-4-12-24-46)48-35-31-44(32-36-48)52-40-38-50(42-19-7-2-8-20-42)54-26-14-16-28-56(52)54/h1-40H
InChIKeyHNXYWWLLUDBECX-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.02
LogP ≤ 512.04
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

triphenyl-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]silane
CID 123924347
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-triphenylsilylphenyl)naphthalen-1-amine
CID 123242691
(4-fluorophenyl)-[4-(4-fluorophenyl)phenyl]-phenyl-(4-phenylphenyl)silane
CID 176748741
[4-[5-(3,6-diphenylcarbazol-9-yl)naphthalen-1-yl]phenyl]-triphenylsilane
CID 59372180
[4-(9H-carbazol-1-yl)phenyl]-triphenylsilane
CID 141080008
CID 158909603
CID 158909603
[4-(4-methylphenyl)phenyl]-triphenylsilane
CID 123512514
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane
CID 156630661
triphenyl-[4-[1,2,3,4-tetradeuterio-10-(2,6-diphenylphenyl)anthracen-9-yl]phenyl]silane
CID 176639452
[9,9-dimethyl-7-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]fluoren-2-yl]-triphenylsilane
CID 122381660
4-(4-triphenylsilylphenyl)aniline
CID 140709059
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane?
The IUPAC name of diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane (CID 177495996) is diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane.
What is the SMILES notation for diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane?
The canonical SMILES for diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane is c1ccc(-c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane?
The InChIKey is HNXYWWLLUDBECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40Si/c1-5-17-41(18-6-1)49-37-39-51(55-27-15-13-25-53(49)55)43-29-33-47(34-30-43)57(45-21-9-3-10-22-45,46-23-11-4-12-24-46)48-35-31-44(32-36-48)52-40-38-50(42-19-7-2-8-20-42)54-26-14-16-28-56(52)54/h1-40H.
What are the key properties of diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane?
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane has a molecular weight of 741.02 g/mol, XLogP of 12.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane is sourced from PubChem (CID 177495996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).