3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine

C55H36N2O — CID 168791333

IUPAC3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc42)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C55H36N2O/c1-4-17-37(18-5-1)56(38-19-6-2-7-20-38)41-31-33-44-42-23-10-13-27-48(42)55(51(44)36-41)49-28-14-11-24-43(49)47-35-40(32-34-50(47)55)57(39-21-8-3-9-22-39)52-29-16-26-46-45-25-12-15-30-53(45)58-54(46)52/h1-36H/i1D,4D,5D,17D,18D
InChIKeyQHPNLAIZWIVVKI-OCAOJUBNSA-N
MW745.94 g/mol
LogP14.87
Rot. Bonds6

About 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine

3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine (PubChem CID 168791333) has the molecular formula C55H36N2O and a molecular weight of 745.94 g/mol. Its IUPAC name is 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
PubChem CID168791333
Molecular FormulaC55H36N2O
Molecular Weight745.94 g/mol
Exact Mass745.31
IUPAC Name3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc42)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C55H36N2O/c1-4-17-37(18-5-1)56(38-19-6-2-7-20-38)41-31-33-44-42-23-10-13-27-48(42)55(51(44)36-41)49-28-14-11-24-43(49)47-35-40(32-34-50(47)55)57(39-21-8-3-9-22-39)52-29-16-26-46-45-25-12-15-30-53(45)58-54(46)52/h1-36H/i1D,4D,5D,17D,18D
InChIKeyQHPNLAIZWIVVKI-OCAOJUBNSA-N
XLogP14.87
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine with MolForge

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Related Compounds

2-N-dibenzofuran-2-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791616
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;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]-3-yldibenzofuran-4-amine
CID 159624894
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
3-N-dibenzofuran-4-yl-3-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3,9'-diamine
CID 134530057
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline;N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 159727177
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine?
The IUPAC name of 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine (CID 168791333) is 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine.
What is the SMILES notation for 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine?
The canonical SMILES for 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine is [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc42)c2ccccc2-3)c([2H])c1[2H].
What is the InChIKey of 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine?
The InChIKey is QHPNLAIZWIVVKI-OCAOJUBNSA-N. The full InChI is InChI=1S/C55H36N2O/c1-4-17-37(18-5-1)56(38-19-6-2-7-20-38)41-31-33-44-42-23-10-13-27-48(42)55(51(44)36-41)49-28-14-11-24-43(49)47-35-40(32-34-50(47)55)57(39-21-8-3-9-22-39)52-29-16-26-46-45-25-12-15-30-53(45)58-54(46)52/h1-36H/i1D,4D,5D,17D,18D.
What are the key properties of 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine?
3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine has a molecular weight of 745.94 g/mol, XLogP of 14.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-4-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N',3-N-diphenyl-9,9'-spirobi[fluorene]-2',3-diamine is sourced from PubChem (CID 168791333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).