5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline

C75H54Si2 — CID 58389809

IUPAC5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)ccc3C4)c3ccccc32)cc1
InChIInChI=1S/C75H54Si2/c1-7-27-56(28-8-1)74(57-29-9-2-10-30-57)66-39-19-23-43-70(66)76(60-35-15-5-16-36-60,71-44-24-20-40-67(71)74)62-49-47-54-51-55-48-50-63(53-65(55)64(54)52-62)77(61-37-17-6-18-38-61)72-45-25-21-41-68(72)75(58-31-11-3-12-32-58,59-33-13-4-14-34-59)69-42-22-26-46-73(69)77/h1-50,52-53H,51H2
InChIKeyUQILZUNSCISLSY-UHFFFAOYSA-N
MW1011.43 g/mol
LogP11.40
Rot. Bonds8

About 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline

5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline (PubChem CID 58389809) has the molecular formula C75H54Si2 and a molecular weight of 1011.43 g/mol. Its IUPAC name is 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline.

Molecular Properties

Compound Name5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline
PubChem CID58389809
Molecular FormulaC75H54Si2
Molecular Weight1011.43 g/mol
Exact Mass1010.38
IUPAC Name5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)ccc3C4)c3ccccc32)cc1
InChIInChI=1S/C75H54Si2/c1-7-27-56(28-8-1)74(57-29-9-2-10-30-57)66-39-19-23-43-70(66)76(60-35-15-5-16-36-60,71-44-24-20-40-67(71)74)62-49-47-54-51-55-48-50-63(53-65(55)64(54)52-62)77(61-37-17-6-18-38-61)72-45-25-21-41-68(72)75(58-31-11-3-12-32-58,59-33-13-4-14-34-59)69-42-22-26-46-73(69)77/h1-50,52-53H,51H2
InChIKeyUQILZUNSCISLSY-UHFFFAOYSA-N
XLogP11.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.43
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline?
The IUPAC name of 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline (CID 58389809) is 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline.
What is the SMILES notation for 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline?
The canonical SMILES for 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline is c1ccc(C2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccc4c(c3)-c3cc([Si]5(c6ccccc6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)ccc3C4)c3ccccc32)cc1.
What is the InChIKey of 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline?
The InChIKey is UQILZUNSCISLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54Si2/c1-7-27-56(28-8-1)74(57-29-9-2-10-30-57)66-39-19-23-43-70(66)76(60-35-15-5-16-36-60,71-44-24-20-40-67(71)74)62-49-47-54-51-55-48-50-63(53-65(55)64(54)52-62)77(61-37-17-6-18-38-61)72-45-25-21-41-68(72)75(58-31-11-3-12-32-58,59-33-13-4-14-34-59)69-42-22-26-46-73(69)77/h1-50,52-53H,51H2.
What are the key properties of 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline?
5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline has a molecular weight of 1011.43 g/mol, XLogP of 11.40, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,10-triphenyl-5-[6-(5,10,10-triphenylbenzo[b][1]benzosilin-5-yl)-9H-fluoren-3-yl]benzo[b][1]benzosiline is sourced from PubChem (CID 58389809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).