N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine

C59H38N2O — CID 167126319

IUPACN-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESC1=CCC(n2c3cccc4c3c3c5c(cc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)cc5ccc32)C42c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C59H38N2O/c1-3-14-40(15-4-1)60(43-31-33-55-47(36-43)46-20-9-12-25-54(46)62-55)42-29-26-37(27-30-42)39-34-38-28-32-53-58-56(38)51(35-39)59(48-21-10-7-18-44(48)45-19-8-11-22-49(45)59)50-23-13-24-52(57(50)58)61(53)41-16-5-2-6-17-41/h1-16,18-36,41H,17H2
InChIKeyGVESCOCNGWFTJY-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.72
Rot. Bonds5

About N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine

N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 167126319) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID167126319
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC NameN-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine
SMILESC1=CCC(n2c3cccc4c3c3c5c(cc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)cc5ccc32)C42c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C59H38N2O/c1-3-14-40(15-4-1)60(43-31-33-55-47(36-43)46-20-9-12-25-54(46)62-55)42-29-26-37(27-30-42)39-34-38-28-32-53-58-56(38)51(35-39)59(48-21-10-7-18-44(48)45-19-8-11-22-49(45)59)50-23-13-24-52(57(50)58)61(53)41-16-5-2-6-17-41/h1-16,18-36,41H,17H2
InChIKeyGVESCOCNGWFTJY-UHFFFAOYSA-N
XLogP15.72
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
CID 167126740
6-dibenzofuran-1-yl-N,N-diphenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
CID 170939159
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004616
N-(4-phenylphenyl)-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-2-amine
CID 130263998
5-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 66837991
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170535376
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-4-yl)-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167194945
N-dibenzofuran-2-yl-6-naphthalen-1-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-11-amine
CID 167126709

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine (CID 167126319) is N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine is C1=CCC(n2c3cccc4c3c3c5c(cc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)cc5ccc32)C42c3ccccc3-c3ccccc32)C=C1.
What is the InChIKey of N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is GVESCOCNGWFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-14-40(15-4-1)60(43-31-33-55-47(36-43)46-20-9-12-25-54(46)62-55)42-29-26-37(27-30-42)39-34-38-28-32-53-58-56(38)51(35-39)59(48-21-10-7-18-44(48)45-19-8-11-22-49(45)59)50-23-13-24-52(57(50)58)61(53)41-16-5-2-6-17-41/h1-16,18-36,41H,17H2.
What are the key properties of N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine?
N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 790.97 g/mol, XLogP of 15.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyclohexa-2,4-dien-1-ylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-yl)phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 167126319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).