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

C57H34N2O — CID 167126740

IUPACN-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
SMILESc1ccc(N(c2cc3c4c(ccc5c4c4c(cccc4n5-c4ccc5ccccc5c4)C34c3ccccc3-c3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H34N2O/c1-2-15-38(16-3-1)58(40-28-30-53-45(33-40)44-19-8-11-24-52(44)60-53)41-32-37-26-29-51-56-54(37)49(34-41)57(46-20-9-6-17-42(46)43-18-7-10-21-47(43)57)48-22-12-23-50(55(48)56)59(51)39-27-25-35-13-4-5-14-36(35)31-39/h1-34H
InChIKeyROVBNGZMFLSJDH-UHFFFAOYSA-N
MW762.91 g/mol
LogP15.14
Rot. Bonds4

About 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

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 (PubChem CID 167126740) has the molecular formula C57H34N2O and a molecular weight of 762.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167126740
Molecular FormulaC57H34N2O
Molecular Weight762.91 g/mol
Exact Mass762.27
IUPAC NameN-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
SMILESc1ccc(N(c2cc3c4c(ccc5c4c4c(cccc4n5-c4ccc5ccccc5c4)C34c3ccccc3-c3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H34N2O/c1-2-15-38(16-3-1)58(40-28-30-53-45(33-40)44-19-8-11-24-52(44)60-53)41-32-37-26-29-51-56-54(37)49(34-41)57(46-20-9-6-17-42(46)43-18-7-10-21-47(43)57)48-22-12-23-50(55(48)56)59(51)39-27-25-35-13-4-5-14-36(35)31-39/h1-34H
InChIKeyROVBNGZMFLSJDH-UHFFFAOYSA-N
XLogP15.14
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-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 167126746
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
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
6-naphthalen-2-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]-11-amine
CID 167126698
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
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
N-[4-(12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaen-20-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 129229876
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121329609
N-dibenzofuran-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794710
9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164793881
N-naphthalen-2-yl-9-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine;9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 159187067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2cc3c4c(ccc5c4c4c(cccc4n5-c4ccc5ccccc5c4)C34c3ccccc3-c3ccccc34)c2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is ROVBNGZMFLSJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N2O/c1-2-15-38(16-3-1)58(40-28-30-53-45(33-40)44-19-8-11-24-52(44)60-53)41-32-37-26-29-51-56-54(37)49(34-41)57(46-20-9-6-17-42(46)43-18-7-10-21-47(43)57)48-22-12-23-50(55(48)56)59(51)39-27-25-35-13-4-5-14-36(35)31-39/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 762.91 g/mol, XLogP of 15.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167126740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).