bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane

C74H56Si3 — CID 159127228

IUPACbis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc1
InChIInChI=1S/C74H56Si3/c1-7-31-59(32-8-1)75(60-33-9-2-10-34-60,65-43-23-29-55(51-65)69-47-25-49-71-67-45-21-19-27-57(67)53-73(69)71)77(63-39-15-5-16-40-63,64-41-17-6-18-42-64)76(61-35-11-3-12-36-61,62-37-13-4-14-38-62)66-44-24-30-56(52-66)70-48-26-50-72-68-46-22-20-28-58(68)54-74(70)72/h1-52H,53-54H2
InChIKeyBCTKPRXVUYJCNB-UHFFFAOYSA-N
MW1029.52 g/mol
LogP12.22
Rot. Bonds12

About bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane

bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane (PubChem CID 159127228) has the molecular formula C74H56Si3 and a molecular weight of 1029.52 g/mol. Its IUPAC name is bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane.

Molecular Properties

Compound Namebis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane
PubChem CID159127228
Molecular FormulaC74H56Si3
Molecular Weight1029.52 g/mol
Exact Mass1028.37
IUPAC Namebis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc1
InChIInChI=1S/C74H56Si3/c1-7-31-59(32-8-1)75(60-33-9-2-10-34-60,65-43-23-29-55(51-65)69-47-25-49-71-67-45-21-19-27-57(67)53-73(69)71)77(63-39-15-5-16-40-63,64-41-17-6-18-42-64)76(61-35-11-3-12-36-61,62-37-13-4-14-38-62)66-44-24-30-56(52-66)70-48-26-50-72-68-46-22-20-28-58(68)54-74(70)72/h1-52H,53-54H2
InChIKeyBCTKPRXVUYJCNB-UHFFFAOYSA-N
XLogP12.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.52
LogP ≤ 512.22
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

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
(3-dibenzothiophen-4-ylphenyl)-[3-(9H-fluoren-1-yl)phenyl]-diphenylsilane
CID 58421117
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
1-[3-(3-methylphenyl)phenyl]-9H-fluorene
CID 159755340
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
2,11-bis(9H-fluoren-1-yl)triphenylene
CID 59489264
2-(9H-fluoren-1-yl)anthracene
CID 151119003
3-[3-[3-(9H-fluoren-1-yl)phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 134393989
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
ethane;2-methyl-4,6-diphenylpyridine;2-methyl-6-phenylpyridine;1-phenyl-9H-fluorene;1-(3-phenylphenyl)-9H-fluorene;1-(4-phenylphenyl)-9H-fluorene
CID 159101534
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
2-[3-(9H-fluoren-1-yl)-5-phenylphenyl]triphenylene;2-[3-(9H-fluoren-1-yl)phenyl]triphenylene;2-(9H-fluoren-1-yl)triphenylene;2-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]triphenylene
CID 160799240

Frequently Asked Questions

What is the IUPAC name of bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane?
The IUPAC name of bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane (CID 159127228) is bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane.
What is the SMILES notation for bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane?
The canonical SMILES for bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)[Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cccc4c3Cc3ccccc3-4)c2)cc1.
What is the InChIKey of bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane?
The InChIKey is BCTKPRXVUYJCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H56Si3/c1-7-31-59(32-8-1)75(60-33-9-2-10-34-60,65-43-23-29-55(51-65)69-47-25-49-71-67-45-21-19-27-57(67)53-73(69)71)77(63-39-15-5-16-40-63,64-41-17-6-18-42-64)76(61-35-11-3-12-36-61,62-37-13-4-14-38-62)66-44-24-30-56(52-66)70-48-26-50-72-68-46-22-20-28-58(68)54-74(70)72/h1-52H,53-54H2.
What are the key properties of bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane?
bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane has a molecular weight of 1029.52 g/mol, XLogP of 12.22, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[3-(9H-fluoren-1-yl)phenyl]-diphenylsilyl]-diphenylsilane is sourced from PubChem (CID 159127228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).