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

C55H36N2O — CID 168791616

IUPAC2-N-dibenzofuran-2-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc42)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C55H36N2O/c1-4-16-37(17-5-1)56(38-18-6-2-7-19-38)41-28-31-45-43-22-10-13-25-49(43)55(51(45)35-41)50-26-14-11-23-44(50)46-32-29-42(36-52(46)55)57(39-20-8-3-9-21-39)40-30-33-54-48(34-40)47-24-12-15-27-53(47)58-54/h1-36H/i1D,4D,5D,16D,17D
InChIKeyKHFHFNBXTCXXIV-FBTAHHKZSA-N
MW745.94 g/mol
LogP14.87
Rot. Bonds6

About 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

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 (PubChem CID 168791616) has the molecular formula C55H36N2O and a molecular weight of 745.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-N-dibenzofuran-2-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID168791616
Molecular FormulaC55H36N2O
Molecular Weight745.94 g/mol
Exact Mass745.31
IUPAC Name2-N-dibenzofuran-2-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
SMILES[2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc42)c2ccccc2-3)c([2H])c1[2H]
InChIInChI=1S/C55H36N2O/c1-4-16-37(17-5-1)56(38-18-6-2-7-19-38)41-28-31-45-43-22-10-13-25-49(43)55(51(45)35-41)50-26-14-11-23-44(50)46-32-29-42(36-52(46)55)57(39-20-8-3-9-21-39)40-30-33-54-48(34-40)47-24-12-15-27-53(47)58-54/h1-36H/i1D,4D,5D,16D,17D
InChIKeyKHFHFNBXTCXXIV-FBTAHHKZSA-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 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 with MolForge

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Related Compounds

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
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
2-N,8-N'-di(dibenzofuran-2-yl)-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-2,8'-diamine
CID 134529776
N-(3,5-diphenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 168771577
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
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-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc42)c2ccccc2-3)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is KHFHFNBXTCXXIV-FBTAHHKZSA-N. The full InChI is InChI=1S/C55H36N2O/c1-4-16-37(17-5-1)56(38-18-6-2-7-19-38)41-28-31-45-43-22-10-13-25-49(43)55(51(45)35-41)50-26-14-11-23-44(50)46-32-29-42(36-52(46)55)57(39-20-8-3-9-21-39)40-30-33-54-48(34-40)47-24-12-15-27-53(47)58-54/h1-36H/i1D,4D,5D,16D,17D.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 168791616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).