2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine

C57H43N3 — CID 159255528

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7cccc8c7-c7ccccc7C87CCCCC7)c6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C57H43N3/c1-4-15-39(16-5-1)40-31-33-44(34-32-40)55-58-54(43-17-6-2-7-18-43)59-56(60-55)48-22-13-20-46(38-48)42-29-27-41(28-30-42)45-19-12-21-47(37-45)49-24-14-26-52-53(49)50-23-8-9-25-51(50)57(52)35-10-3-11-36-57/h1-2,4-9,12-34,37-38H,3,10-11,35-36H2
InChIKeyDZDZUZAQSAVWJI-UHFFFAOYSA-N
MW769.99 g/mol
LogP14.77
Rot. Bonds7

About 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 159255528) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
PubChem CID159255528
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7cccc8c7-c7ccccc7C87CCCCC7)c6)cc5)c4)n3)cc2)cc1
InChIInChI=1S/C57H43N3/c1-4-15-39(16-5-1)40-31-33-44(34-32-40)55-58-54(43-17-6-2-7-18-43)59-56(60-55)48-22-13-20-46(38-48)42-29-27-41(28-30-42)45-19-12-21-47(37-45)49-24-14-26-52-53(49)50-23-8-9-25-51(50)57(52)35-10-3-11-36-57/h1-2,4-9,12-34,37-38H,3,10-11,35-36H2
InChIKeyDZDZUZAQSAVWJI-UHFFFAOYSA-N
XLogP14.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
CID 166901869
CID 166901869
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 159060876
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747290
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747289
5'-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440433

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine (CID 159255528) is 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc(-c6cccc(-c7cccc8c7-c7ccccc7C87CCCCC7)c6)cc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
The InChIKey is DZDZUZAQSAVWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-4-15-39(16-5-1)40-31-33-44(34-32-40)55-58-54(43-17-6-2-7-18-43)59-56(60-55)48-22-13-20-46(38-48)42-29-27-41(28-30-42)45-19-12-21-47(37-45)49-24-14-26-52-53(49)50-23-8-9-25-51(50)57(52)35-10-3-11-36-57/h1-2,4-9,12-34,37-38H,3,10-11,35-36H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine has a molecular weight of 769.99 g/mol, XLogP of 14.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159255528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).