N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

C49H37NO — CID 166508488

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)cc1
InChIInChI=1S/C49H37NO/c1-2-9-33(10-3-1)34-18-24-38(25-19-34)50(39-26-20-35(21-27-39)36-22-28-41-40-11-5-7-16-46(40)51-47(41)30-36)45-15-8-14-44-48(45)42-12-4-6-13-43(42)49(44)31-32-17-23-37(49)29-32/h1-16,18-22,24-28,30,32,37H,17,23,29,31H2
InChIKeyQZAXUMXXNMTNOL-UHFFFAOYSA-N
MW655.84 g/mol
LogP13.48
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (PubChem CID 166508488) has the molecular formula C49H37NO and a molecular weight of 655.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
PubChem CID166508488
Molecular FormulaC49H37NO
Molecular Weight655.84 g/mol
Exact Mass655.29
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)cc1
InChIInChI=1S/C49H37NO/c1-2-9-33(10-3-1)34-18-24-38(25-19-34)50(39-26-20-35(21-27-39)36-22-28-41-40-11-5-7-16-46(40)51-47(41)30-36)45-15-8-14-44-48(45)42-12-4-6-13-43(42)49(44)31-32-17-23-37(49)29-32/h1-16,18-22,24-28,30,32,37H,17,23,29,31H2
InChIKeyQZAXUMXXNMTNOL-UHFFFAOYSA-N
XLogP13.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.84
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170113458
N-(4-phenylphenyl)-N-[4-(4-spiro[fluorene-9,4'-tetracyclo[7.2.1.03,11.06,11]dodecane]-4-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167056493
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 170117747
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508585
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (CID 166508488) is N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The InChIKey is QZAXUMXXNMTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37NO/c1-2-9-33(10-3-1)34-18-24-38(25-19-34)50(39-26-20-35(21-27-39)36-22-28-41-40-11-5-7-16-46(40)51-47(41)30-36)45-15-8-14-44-48(45)42-12-4-6-13-43(42)49(44)31-32-17-23-37(49)29-32/h1-16,18-22,24-28,30,32,37H,17,23,29,31H2.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine has a molecular weight of 655.84 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 166508488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).