(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane

C47H31FN2OSi — CID 158273053

IUPAC(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane
SMILESFc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccnc3)ccc1n2-c1ccccc1
InChIInChI=1S/C47H31FN2OSi/c48-33-22-26-44-42(29-33)43-30-37(25-27-45(43)50(44)34-11-3-1-4-12-34)52(35-13-5-2-6-14-35,38-15-10-28-49-31-38)36-23-20-32(21-24-36)39-17-9-18-41-40-16-7-8-19-46(40)51-47(39)41/h1-31H
InChIKeyIVCOKJADQLOBRR-UHFFFAOYSA-N
MW686.86 g/mol
LogP9.26
Rot. Bonds6

About (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane

(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane (PubChem CID 158273053) has the molecular formula C47H31FN2OSi and a molecular weight of 686.86 g/mol. Its IUPAC name is (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane.

Molecular Properties

Compound Name(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane
PubChem CID158273053
Molecular FormulaC47H31FN2OSi
Molecular Weight686.86 g/mol
Exact Mass686.22
IUPAC Name(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane
SMILESFc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccnc3)ccc1n2-c1ccccc1
InChIInChI=1S/C47H31FN2OSi/c48-33-22-26-44-42(29-33)43-30-37(25-27-45(43)50(44)34-11-3-1-4-12-34)52(35-13-5-2-6-14-35,38-15-10-28-49-31-38)36-23-20-32(21-24-36)39-17-9-18-41-40-16-7-8-19-46(40)51-47(39)41/h1-31H
InChIKeyIVCOKJADQLOBRR-UHFFFAOYSA-N
XLogP9.26
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 59.26
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 (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane?
The IUPAC name of (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane (CID 158273053) is (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane.
What is the SMILES notation for (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane?
The canonical SMILES for (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane is Fc1ccc2c(c1)c1cc([Si](c3ccccc3)(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccnc3)ccc1n2-c1ccccc1.
What is the InChIKey of (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane?
The InChIKey is IVCOKJADQLOBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31FN2OSi/c48-33-22-26-44-42(29-33)43-30-37(25-27-45(43)50(44)34-11-3-1-4-12-34)52(35-13-5-2-6-14-35,38-15-10-28-49-31-38)36-23-20-32(21-24-36)39-17-9-18-41-40-16-7-8-19-46(40)51-47(39)41/h1-31H.
What are the key properties of (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane?
(4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane has a molecular weight of 686.86 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-4-ylphenyl)-(6-fluoro-9-phenylcarbazol-3-yl)-phenyl-pyridin-3-ylsilane is sourced from PubChem (CID 158273053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).