3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole

C52H33FN4 — CID 58511555

IUPAC3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole
SMILESFc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H33FN4/c53-39-24-29-51-45(32-39)44-31-38(23-28-50(44)56(51)40-16-8-3-9-17-40)37-22-27-49-43(30-37)42-18-10-11-19-48(42)57(49)41-25-20-35(21-26-41)47-33-46(34-12-4-1-5-13-34)54-52(55-47)36-14-6-2-7-15-36/h1-33H
InChIKeyBDFMGESOUGTUBM-UHFFFAOYSA-N
MW732.86 g/mol
LogP13.48
Rot. Bonds6

About 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole

3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole (PubChem CID 58511555) has the molecular formula C52H33FN4 and a molecular weight of 732.86 g/mol. Its IUPAC name is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole
PubChem CID58511555
Molecular FormulaC52H33FN4
Molecular Weight732.86 g/mol
Exact Mass732.27
IUPAC Name3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole
SMILESFc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C52H33FN4/c53-39-24-29-51-45(32-39)44-31-38(23-28-50(44)56(51)40-16-8-3-9-17-40)37-22-27-49-43(30-37)42-18-10-11-19-48(42)57(49)41-25-20-35(21-26-41)47-33-46(34-12-4-1-5-13-34)54-52(55-47)36-14-6-2-7-15-36/h1-33H
InChIKeyBDFMGESOUGTUBM-UHFFFAOYSA-N
XLogP13.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.86
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole (CID 58511555) is 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole is Fc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole?
The InChIKey is BDFMGESOUGTUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN4/c53-39-24-29-51-45(32-39)44-31-38(23-28-50(44)56(51)40-16-8-3-9-17-40)37-22-27-49-43(30-37)42-18-10-11-19-48(42)57(49)41-25-20-35(21-26-41)47-33-46(34-12-4-1-5-13-34)54-52(55-47)36-14-6-2-7-15-36/h1-33H.
What are the key properties of 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole?
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole has a molecular weight of 732.86 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-6-fluoro-9-phenylcarbazole is sourced from PubChem (CID 58511555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).