N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine

C61H39NO — CID 166133412

IUPACN-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC(c1ccccc1)=C2N(c1ccccc1-c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C61H39NO/c1-3-19-40(20-4-1)46-27-11-14-32-55(46)62(56-33-15-12-28-48(56)49-30-17-35-58-59(49)50-29-13-16-34-57(50)63-58)60-51(41-21-5-2-6-22-41)39-52-45-26-10-8-24-43(45)38-54(52)61(60)36-18-31-47-44-25-9-7-23-42(44)37-53(47)61/h1-39H
InChIKeyFQSPWUMDRDWQKE-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.00
Rot. Bonds6

About N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine

N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine (PubChem CID 166133412) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
PubChem CID166133412
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC(c1ccccc1)=C2N(c1ccccc1-c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C61H39NO/c1-3-19-40(20-4-1)46-27-11-14-32-55(46)62(56-33-15-12-28-48(56)49-30-17-35-58-59(49)50-29-13-16-34-57(50)63-58)60-51(41-21-5-2-6-22-41)39-52-45-26-10-8-24-43(45)38-54(52)61(60)36-18-31-47-44-25-9-7-23-42(44)37-53(47)61/h1-39H
InChIKeyFQSPWUMDRDWQKE-UHFFFAOYSA-N
XLogP16.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166134785
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 167324686
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-2-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 167086977
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
2-[3-(N-(4-dibenzofuran-1-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167087132
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine (CID 166133412) is N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine is C1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC(c1ccccc1)=C2N(c1ccccc1-c1ccccc1)c1ccccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The InChIKey is FQSPWUMDRDWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-19-40(20-4-1)46-27-11-14-32-55(46)62(56-33-15-12-28-48(56)49-30-17-35-58-59(49)50-29-13-16-34-57(50)63-58)60-51(41-21-5-2-6-22-41)39-52-45-26-10-8-24-43(45)38-54(52)61(60)36-18-31-47-44-25-9-7-23-42(44)37-53(47)61/h1-39H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine has a molecular weight of 801.99 g/mol, XLogP of 16.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 166133412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).