9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine

C54H39FN2Si — CID 59720545

IUPAC9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H39FN2Si/c55-42-28-32-45(33-29-42)57-53-36-34-46(56(43-18-8-2-9-19-43)44-30-26-41(27-31-44)40-16-6-1-7-17-40)38-51(53)52-39-50(35-37-54(52)57)58(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyRFGKHNNPIUTPNA-UHFFFAOYSA-N
MW763.00 g/mol
LogP11.44
Rot. Bonds9

About 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine

9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720545) has the molecular formula C54H39FN2Si and a molecular weight of 763.00 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
PubChem CID59720545
Molecular FormulaC54H39FN2Si
Molecular Weight763.00 g/mol
Exact Mass762.29
IUPAC Name9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H39FN2Si/c55-42-28-32-45(33-29-42)57-53-36-34-46(56(43-18-8-2-9-19-43)44-30-26-41(27-31-44)40-16-6-1-7-17-40)38-51(53)52-39-50(35-37-54(52)57)58(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyRFGKHNNPIUTPNA-UHFFFAOYSA-N
XLogP11.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.00
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine (CID 59720545) is 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is RFGKHNNPIUTPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39FN2Si/c55-42-28-32-45(33-29-42)57-53-36-34-46(56(43-18-8-2-9-19-43)44-30-26-41(27-31-44)40-16-6-1-7-17-40)38-51(53)52-39-50(35-37-54(52)57)58(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H.
What are the key properties of 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine?
9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 763.00 g/mol, XLogP of 11.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-phenyl-N-(4-phenylphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).