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

C57H34N2O — CID 167126709

IUPACN-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
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2cccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H34N2O/c1-2-16-36(17-3-1)58(37-28-33-53-43(34-37)41-21-8-11-27-52(41)60-53)49-32-30-47-54-42(49)29-31-51-56(54)55-46(57(47)44-22-9-6-19-39(44)40-20-7-10-23-45(40)57)24-13-26-50(55)59(51)48-25-12-15-35-14-4-5-18-38(35)48/h1-34H
InChIKeyXJIVAADZJMBIDC-UHFFFAOYSA-N
MW762.91 g/mol
LogP15.14
Rot. Bonds4

About 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

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 (PubChem CID 167126709) has the molecular formula C57H34N2O and a molecular weight of 762.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167126709
Molecular FormulaC57H34N2O
Molecular Weight762.91 g/mol
Exact Mass762.27
IUPAC NameN-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
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2cccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C57H34N2O/c1-2-16-36(17-3-1)58(37-28-33-53-43(34-37)41-21-8-11-27-52(41)60-53)49-32-30-47-54-42(49)29-31-51-56(54)55-46(57(47)44-22-9-6-19-39(44)40-20-7-10-23-45(40)57)24-13-26-50(55)59(51)48-25-12-15-35-14-4-5-18-38(35)48/h1-34H
InChIKeyXJIVAADZJMBIDC-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-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 with MolForge

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Related Compounds

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-dibenzofuran-1-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine;9-dibenzofuran-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-3-amine
CID 165068251
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-dibenzofuran-2-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165097642
9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
CID 129194460
N-dibenzofuran-3-yl-9-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 164794829
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200
9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3-ylcarbazol-2-amine
CID 164794803
9-dibenzofuran-1-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylcarbazol-3-amine
CID 164794741
9-naphthalen-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-2'-ylcarbazol-3-amine
CID 164794927
N-dibenzofuran-2-yl-N-(2,3-diphenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023369

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3c4c2ccc2c4c4c(cccc4n2-c2cccc4ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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?
The InChIKey is XJIVAADZJMBIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N2O/c1-2-16-36(17-3-1)58(37-28-33-53-43(34-37)41-21-8-11-27-52(41)60-53)49-32-30-47-54-42(49)29-31-51-56(54)55-46(57(47)44-22-9-6-19-39(44)40-20-7-10-23-45(40)57)24-13-26-50(55)59(51)48-25-12-15-35-14-4-5-18-38(35)48/h1-34H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 167126709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).