2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine

C67H47FN4 — CID 130376286

IUPAC2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine
SMILESFc1cc(-c2ccc3c(c2)C2CCC3C2)ncc1-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1
InChIInChI=1S/C67H47FN4/c68-63-41-64(51-29-30-60-49-27-28-50(33-49)61(60)40-51)69-42-62(63)67-71-65(52-25-13-23-47(31-52)58-36-54(43-15-5-1-6-16-43)34-55(37-58)44-17-7-2-8-18-44)70-66(72-67)53-26-14-24-48(32-53)59-38-56(45-19-9-3-10-20-45)35-57(39-59)46-21-11-4-12-22-46/h1-26,29-32,34-42,49-50H,27-28,33H2
InChIKeyIUGRCPBWAMIUIM-UHFFFAOYSA-N
MW927.14 g/mol
LogP17.44
Rot. Bonds10

About 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine

2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 130376286) has the molecular formula C67H47FN4 and a molecular weight of 927.14 g/mol. Its IUPAC name is 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine
PubChem CID130376286
Molecular FormulaC67H47FN4
Molecular Weight927.14 g/mol
Exact Mass926.38
IUPAC Name2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine
SMILESFc1cc(-c2ccc3c(c2)C2CCC3C2)ncc1-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1
InChIInChI=1S/C67H47FN4/c68-63-41-64(51-29-30-60-49-27-28-50(33-49)61(60)40-51)69-42-62(63)67-71-65(52-25-13-23-47(31-52)58-36-54(43-15-5-1-6-16-43)34-55(37-58)44-17-7-2-8-18-44)70-66(72-67)53-26-14-24-48(32-53)59-38-56(45-19-9-3-10-20-45)35-57(39-59)46-21-11-4-12-22-46/h1-26,29-32,34-42,49-50H,27-28,33H2
InChIKeyIUGRCPBWAMIUIM-UHFFFAOYSA-N
XLogP17.44
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.14
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine (CID 130376286) is 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine is Fc1cc(-c2ccc3c(c2)C2CCC3C2)ncc1-c1nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)nc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)n1.
What is the InChIKey of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is IUGRCPBWAMIUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47FN4/c68-63-41-64(51-29-30-60-49-27-28-50(33-49)61(60)40-51)69-42-62(63)67-71-65(52-25-13-23-47(31-52)58-36-54(43-15-5-1-6-16-43)34-55(37-58)44-17-7-2-8-18-44)70-66(72-67)53-26-14-24-48(32-53)59-38-56(45-19-9-3-10-20-45)35-57(39-59)46-21-11-4-12-22-46/h1-26,29-32,34-42,49-50H,27-28,33H2.
What are the key properties of 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine?
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 927.14 g/mol, XLogP of 17.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-[4-fluoro-6-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 130376286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).