N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C55H35NO — CID 164784270

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H35NO/c1-2-14-37(15-3-1)41-16-7-12-24-52(41)56(39-29-26-36(27-30-39)38-28-32-47-46-20-8-13-25-53(46)57-54(47)34-38)40-31-33-45-44-19-6-11-23-50(44)55(51(45)35-40)48-21-9-4-17-42(48)43-18-5-10-22-49(43)55/h1-35H
InChIKeyPGDBLJRCFZFEPX-UHFFFAOYSA-N
MW725.89 g/mol
LogP14.73
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 164784270) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID164784270
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C55H35NO/c1-2-14-37(15-3-1)41-16-7-12-24-52(41)56(39-29-26-36(27-30-39)38-28-32-47-46-20-8-13-25-53(46)57-54(47)34-38)40-31-33-45-44-19-6-11-23-50(44)55(51(45)35-40)48-21-9-4-17-42(48)43-18-5-10-22-49(43)55/h1-35H
InChIKeyPGDBLJRCFZFEPX-UHFFFAOYSA-N
XLogP14.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.89
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-3-amine
CID 157361279
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N,N-bis(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463062
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462998
N-dibenzofuran-2-yl-6-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 171766798
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463123
N,N-bis(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 161119301
N-dibenzofuran-3-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463642

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 164784270) is N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is PGDBLJRCFZFEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-2-14-37(15-3-1)41-16-7-12-24-52(41)56(39-29-26-36(27-30-39)38-28-32-47-46-20-8-13-25-53(46)57-54(47)34-38)40-31-33-45-44-19-6-11-23-50(44)55(51(45)35-40)48-21-9-4-17-42(48)43-18-5-10-22-49(43)55/h1-35H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 725.89 g/mol, XLogP of 14.73, 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-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 164784270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).