9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine

C79H57F2N3OSi2 — CID 59381416

IUPAC9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCOc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C79H57F2N3OSi2/c1-85-63-44-40-58(41-45-63)82(61-42-48-76-72(52-61)74-54-70(46-50-78(74)83(76)59-36-32-56(80)33-37-59)86(64-20-8-2-9-21-64,65-22-10-3-11-23-65)66-24-12-4-13-25-66)62-43-49-77-73(53-62)75-55-71(47-51-79(75)84(77)60-38-34-57(81)35-39-60)87(67-26-14-5-15-27-67,68-28-16-6-17-29-68)69-30-18-7-19-31-69/h2-55H,1H3
InChIKeyZTLGAHJQSZJWTA-UHFFFAOYSA-N
MW1158.51 g/mol
LogP14.39
Rot. Bonds14

About 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine

9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine (PubChem CID 59381416) has the molecular formula C79H57F2N3OSi2 and a molecular weight of 1158.51 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine
PubChem CID59381416
Molecular FormulaC79H57F2N3OSi2
Molecular Weight1158.51 g/mol
Exact Mass1157.40
IUPAC Name9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine
SMILESCOc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1
InChIInChI=1S/C79H57F2N3OSi2/c1-85-63-44-40-58(41-45-63)82(61-42-48-76-72(52-61)74-54-70(46-50-78(74)83(76)59-36-32-56(80)33-37-59)86(64-20-8-2-9-21-64,65-22-10-3-11-23-65)66-24-12-4-13-25-66)62-43-49-77-73(53-62)75-55-71(47-51-79(75)84(77)60-38-34-57(81)35-39-60)87(67-26-14-5-15-27-67,68-28-16-6-17-29-68)69-30-18-7-19-31-69/h2-55H,1H3
InChIKeyZTLGAHJQSZJWTA-UHFFFAOYSA-N
XLogP14.39
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.51
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine (CID 59381416) is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine is COc1ccc(N(c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)c2ccc3c(c2)c2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(F)cc2)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
The InChIKey is ZTLGAHJQSZJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H57F2N3OSi2/c1-85-63-44-40-58(41-45-63)82(61-42-48-76-72(52-61)74-54-70(46-50-78(74)83(76)59-36-32-56(80)33-37-59)86(64-20-8-2-9-21-64,65-22-10-3-11-23-65)66-24-12-4-13-25-66)62-43-49-77-73(53-62)75-55-71(47-51-79(75)84(77)60-38-34-57(81)35-39-60)87(67-26-14-5-15-27-67,68-28-16-6-17-29-68)69-30-18-7-19-31-69/h2-55H,1H3.
What are the key properties of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine?
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine has a molecular weight of 1158.51 g/mol, XLogP of 14.39, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)-6-triphenylsilylcarbazol-3-yl]-N-(4-methoxyphenyl)-6-triphenylsilylcarbazol-3-amine is sourced from PubChem (CID 59381416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).