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

C53H32N2O — CID 170939159

IUPAC6-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
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(ccc5c4c4c(cccc4n5-c4cccc5oc6ccccc6c45)C34c3ccccc3-c3ccccc34)c2)cc1
InChIInChI=1S/C53H32N2O/c1-3-15-34(16-4-1)54(35-17-5-2-6-18-35)36-31-33-29-30-46-52-49(33)43(32-36)53(40-22-10-7-19-37(40)38-20-8-11-23-41(38)53)42-24-13-25-45(51(42)52)55(46)44-26-14-28-48-50(44)39-21-9-12-27-47(39)56-48/h1-32H
InChIKeyLRUHZEQPPWRRDC-UHFFFAOYSA-N
MW712.85 g/mol
LogP13.98
Rot. Bonds4

About 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

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 (PubChem CID 170939159) has the molecular formula C53H32N2O and a molecular weight of 712.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID170939159
Molecular FormulaC53H32N2O
Molecular Weight712.85 g/mol
Exact Mass712.25
IUPAC Name6-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
SMILESc1ccc(N(c2ccccc2)c2cc3c4c(ccc5c4c4c(cccc4n5-c4cccc5oc6ccccc6c45)C34c3ccccc3-c3ccccc34)c2)cc1
InChIInChI=1S/C53H32N2O/c1-3-15-34(16-4-1)54(35-17-5-2-6-18-35)36-31-33-29-30-46-52-49(33)43(32-36)53(40-22-10-7-19-37(40)38-20-8-11-23-41(38)53)42-24-13-25-45(51(42)52)55(46)44-26-14-28-48-50(44)39-21-9-12-27-47(39)56-48/h1-32H
InChIKeyLRUHZEQPPWRRDC-UHFFFAOYSA-N
XLogP13.98
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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-(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
N-[3-[4-(9-dibenzofuran-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 118086682
9-dibenzofuran-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-2-amine
CID 164949941
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
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
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
6-phenyl-N,N-bis(3-phenylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]-3-amine
CID 167126436
1-N,1-N,3-N-triphenyl-3-N-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-17-yldibenzofuran-1,3-diamine
CID 155483623
N-dibenzofuran-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-1-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-2-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine;9-dibenzofuran-3-yl-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-3-amine
CID 165051170

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2cc3c4c(ccc5c4c4c(cccc4n5-c4cccc5oc6ccccc6c45)C34c3ccccc3-c3ccccc34)c2)cc1.
What is the InChIKey of 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?
The InChIKey is LRUHZEQPPWRRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O/c1-3-15-34(16-4-1)54(35-17-5-2-6-18-35)36-31-33-29-30-46-52-49(33)43(32-36)53(40-22-10-7-19-37(40)38-20-8-11-23-41(38)53)42-24-13-25-45(51(42)52)55(46)44-26-14-28-48-50(44)39-21-9-12-27-47(39)56-48/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 712.85 g/mol, XLogP of 13.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170939159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).