3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine

C45H28N2 — CID 129264516

IUPAC3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine
SMILESc1ccc(-c2cnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N2/c1-3-13-29(14-4-1)42-28-46-43(44(47-42)30-15-5-2-6-16-30)33-23-24-36-34-19-9-11-21-38(34)45(40(36)27-33)39-22-12-10-20-35(39)37-25-31-17-7-8-18-32(31)26-41(37)45/h1-28H
InChIKeyQMELBJHLQZRZRY-UHFFFAOYSA-N
MW596.73 g/mol
LogP10.97
Rot. Bonds3

About 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine

3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine (PubChem CID 129264516) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine.

Molecular Properties

Compound Name3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine
PubChem CID129264516
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine
SMILESc1ccc(-c2cnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H28N2/c1-3-13-29(14-4-1)42-28-46-43(44(47-42)30-15-5-2-6-16-30)33-23-24-36-34-19-9-11-21-38(34)45(40(36)27-33)39-22-12-10-20-35(39)37-25-31-17-7-8-18-32(31)26-41(37)45/h1-28H
InChIKeyQMELBJHLQZRZRY-UHFFFAOYSA-N
XLogP10.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine
CID 129174060
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-[3-[4-(3,5-dimethyl-2-pyridinyl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenylpyrimidine
CID 167364717
4-phenyl-2-[4-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]phenyl]phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 88557841
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787
2,4-bis(3-phenylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 157053825

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine?
The IUPAC name of 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine (CID 129264516) is 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine.
What is the SMILES notation for 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine?
The canonical SMILES for 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine is c1ccc(-c2cnc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine?
The InChIKey is QMELBJHLQZRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-3-13-29(14-4-1)42-28-46-43(44(47-42)30-15-5-2-6-16-30)33-23-24-36-34-19-9-11-21-38(34)45(40(36)27-33)39-22-12-10-20-35(39)37-25-31-17-7-8-18-32(31)26-41(37)45/h1-28H.
What are the key properties of 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine?
3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine has a molecular weight of 596.73 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylpyrazine is sourced from PubChem (CID 129264516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).