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

C54H39FN2OSi — CID 59720548

IUPAC9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H39FN2OSi/c55-40-26-28-43(29-27-40)57-53-36-32-44(56(41-16-6-1-7-17-41)42-30-33-46(34-31-42)58-45-18-8-2-9-19-45)38-51(53)52-39-50(35-37-54(52)57)59(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyPBXKTKBSCZQQCH-UHFFFAOYSA-N
MW779.00 g/mol
LogP11.56
Rot. Bonds10

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

9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine (PubChem CID 59720548) has the molecular formula C54H39FN2OSi and a molecular weight of 779.00 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine
PubChem CID59720548
Molecular FormulaC54H39FN2OSi
Molecular Weight779.00 g/mol
Exact Mass778.28
IUPAC Name9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine
SMILESFc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H39FN2OSi/c55-40-26-28-43(29-27-40)57-53-36-32-44(56(41-16-6-1-7-17-41)42-30-33-46(34-31-42)58-45-18-8-2-9-19-45)38-51(53)52-39-50(35-37-54(52)57)59(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-39H
InChIKeyPBXKTKBSCZQQCH-UHFFFAOYSA-N
XLogP11.56
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine (CID 59720548) is 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine is Fc1ccc(-n2c3ccc(N(c4ccccc4)c4ccc(Oc5ccccc5)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine?
The InChIKey is PBXKTKBSCZQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39FN2OSi/c55-40-26-28-43(29-27-40)57-53-36-32-44(56(41-16-6-1-7-17-41)42-30-33-46(34-31-42)58-45-18-8-2-9-19-45)38-51(53)52-39-50(35-37-54(52)57)59(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-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine?
9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine has a molecular weight of 779.00 g/mol, XLogP of 11.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-(4-phenoxyphenyl)-N-phenyl-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59720548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).