triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane

C61H43NSi — CID 170515999

IUPACtriphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccccc5)ccc(C5c6ccccc6-c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)c43)c2)cc1
InChIInChI=1S/C61H43NSi/c1-6-21-43(22-7-1)45-25-20-26-46(41-45)62-58-36-19-18-35-55(58)60-51(44-23-8-2-9-24-44)39-40-56(61(60)62)59-53-34-17-16-33-52(53)57-42-50(37-38-54(57)59)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-42,59H
InChIKeyFNWRDESDTWVTGU-UHFFFAOYSA-N
MW818.11 g/mol
LogP12.66
Rot. Bonds8

About triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane

triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane (PubChem CID 170515999) has the molecular formula C61H43NSi and a molecular weight of 818.11 g/mol. Its IUPAC name is triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane.

Molecular Properties

Compound Nametriphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane
PubChem CID170515999
Molecular FormulaC61H43NSi
Molecular Weight818.11 g/mol
Exact Mass817.32
IUPAC Nametriphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccccc5)ccc(C5c6ccccc6-c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)c43)c2)cc1
InChIInChI=1S/C61H43NSi/c1-6-21-43(22-7-1)45-25-20-26-46(41-45)62-58-36-19-18-35-55(58)60-51(44-23-8-2-9-24-44)39-40-56(61(60)62)59-53-34-17-16-33-52(53)57-42-50(37-38-54(57)59)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-42,59H
InChIKeyFNWRDESDTWVTGU-UHFFFAOYSA-N
XLogP12.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.11
LogP ≤ 512.66
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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Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane?
The IUPAC name of triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane (CID 170515999) is triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane.
What is the SMILES notation for triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane?
The canonical SMILES for triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccccc5)ccc(C5c6ccccc6-c6cc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)ccc65)c43)c2)cc1.
What is the InChIKey of triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane?
The InChIKey is FNWRDESDTWVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NSi/c1-6-21-43(22-7-1)45-25-20-26-46(41-45)62-58-36-19-18-35-55(58)60-51(44-23-8-2-9-24-44)39-40-56(61(60)62)59-53-34-17-16-33-52(53)57-42-50(37-38-54(57)59)63(47-27-10-3-11-28-47,48-29-12-4-13-30-48)49-31-14-5-15-32-49/h1-42,59H.
What are the key properties of triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane?
triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane has a molecular weight of 818.11 g/mol, XLogP of 12.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[9-[4-phenyl-9-(3-phenylphenyl)carbazol-1-yl]-9H-fluoren-3-yl]silane is sourced from PubChem (CID 170515999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).