2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine

C54H33NO — CID 129264553

IUPAC2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5cc(-c6ccccn6)ccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)c2)cc1
InChIInChI=1S/C54H33NO/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)36-22-24-41-42-25-23-37(50-20-11-12-28-55-50)33-49(42)54(48(41)32-36)46-19-9-7-18-45(46)52-47(54)27-26-44-43-17-8-10-21-51(43)56-53(44)52/h1-33H
InChIKeyLNWNNVNEEUURGK-UHFFFAOYSA-N
MW711.86 g/mol
LogP13.99
Rot. Bonds4

About 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine

2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine (PubChem CID 129264553) has the molecular formula C54H33NO and a molecular weight of 711.86 g/mol. Its IUPAC name is 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine.

Molecular Properties

Compound Name2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine
PubChem CID129264553
Molecular FormulaC54H33NO
Molecular Weight711.86 g/mol
Exact Mass711.26
IUPAC Name2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5cc(-c6ccccn6)ccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)c2)cc1
InChIInChI=1S/C54H33NO/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)36-22-24-41-42-25-23-37(50-20-11-12-28-55-50)33-49(42)54(48(41)32-36)46-19-9-7-18-45(46)52-47(54)27-26-44-43-17-8-10-21-51(43)56-53(44)52/h1-33H
InChIKeyLNWNNVNEEUURGK-UHFFFAOYSA-N
XLogP13.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.86
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine?
The IUPAC name of 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine (CID 129264553) is 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine.
What is the SMILES notation for 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine?
The canonical SMILES for 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)C3(c5cc(-c6ccccn6)ccc5-4)c4ccccc4-c4c3ccc3c4oc4ccccc43)c2)cc1.
What is the InChIKey of 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine?
The InChIKey is LNWNNVNEEUURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO/c1-3-13-34(14-4-1)38-29-39(35-15-5-2-6-16-35)31-40(30-38)36-22-24-41-42-25-23-37(50-20-11-12-28-55-50)33-49(42)54(48(41)32-36)46-19-9-7-18-45(46)52-47(54)27-26-44-43-17-8-10-21-51(43)56-53(44)52/h1-33H.
What are the key properties of 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine?
2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine has a molecular weight of 711.86 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-yl]pyridine is sourced from PubChem (CID 129264553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).