N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine

C53H33NO — CID 176583314

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C53H33NO/c1-2-16-35-33-36(32-31-34(35)15-1)54(47-27-11-6-19-39(47)40-22-13-30-50-51(40)42-21-7-12-29-49(42)55-50)48-28-14-26-46-52(48)41-20-5-10-25-45(41)53(46)43-23-8-3-17-37(43)38-18-4-9-24-44(38)53/h1-33H
InChIKeyOONVRDOLRSYYIK-UHFFFAOYSA-N
MW699.85 g/mol
LogP14.22
Rot. Bonds4

About N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine

N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 176583314) has the molecular formula C53H33NO and a molecular weight of 699.85 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
PubChem CID176583314
Molecular FormulaC53H33NO
Molecular Weight699.85 g/mol
Exact Mass699.26
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C53H33NO/c1-2-16-35-33-36(32-31-34(35)15-1)54(47-27-11-6-19-39(47)40-22-13-30-50-51(40)42-21-7-12-29-49(42)55-50)48-28-14-26-46-52(48)41-20-5-10-25-45(41)53(46)43-23-8-3-17-37(43)38-18-4-9-24-44(38)53/h1-33H
InChIKeyOONVRDOLRSYYIK-UHFFFAOYSA-N
XLogP14.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.85
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176583162
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 157466477
N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170535376
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-4-amine
CID 177114196
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine (CID 176583314) is N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is OONVRDOLRSYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33NO/c1-2-16-35-33-36(32-31-34(35)15-1)54(47-27-11-6-19-39(47)40-22-13-30-50-51(40)42-21-7-12-29-49(42)55-50)48-28-14-26-46-52(48)41-20-5-10-25-45(41)53(46)43-23-8-3-17-37(43)38-18-4-9-24-44(38)53/h1-33H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 699.85 g/mol, XLogP of 14.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 176583314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).