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

C61H39NO — CID 166134785

IUPACN-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2N(c1ccccc1-c1ccccc1)c1cccc(-c2ccccc2)c1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C61H39NO/c1-3-18-40(19-4-1)46-26-11-13-31-54(46)62(55-32-15-28-47(41-20-5-2-6-21-41)59(55)51-29-16-34-57-60(51)50-27-12-14-33-56(50)63-57)58-36-35-49-45-25-10-8-23-43(45)39-53(49)61(58)37-17-30-48-44-24-9-7-22-42(44)38-52(48)61/h1-39H
InChIKeyIWBUGLVLNIRYJX-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.14
Rot. Bonds6

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

N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine (PubChem CID 166134785) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
PubChem CID166134785
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2N(c1ccccc1-c1ccccc1)c1cccc(-c2ccccc2)c1-c1cccc2oc3ccccc3c12
InChIInChI=1S/C61H39NO/c1-3-18-40(19-4-1)46-26-11-13-31-54(46)62(55-32-15-28-47(41-20-5-2-6-21-41)59(55)51-29-16-34-57-60(51)50-27-12-14-33-56(50)63-57)58-36-35-49-45-25-10-8-23-43(45)39-53(49)61(58)37-17-30-48-44-24-9-7-22-42(44)38-52(48)61/h1-39H
InChIKeyIWBUGLVLNIRYJX-UHFFFAOYSA-N
XLogP16.14
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 ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-3'-phenyl-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133412
N-(2,3-diphenyl-9H-fluoren-1-yl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133775
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
2-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 170665979
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
3-dibenzofuran-2-yl-N-(2-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665611
N-(2-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168790337

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine (CID 166134785) is N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine is C1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2N(c1ccccc1-c1ccccc1)c1cccc(-c2ccccc2)c1-c1cccc2oc3ccccc3c12.
What is the InChIKey of N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
The InChIKey is IWBUGLVLNIRYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-3-18-40(19-4-1)46-26-11-13-31-54(46)62(55-32-15-28-47(41-20-5-2-6-21-41)59(55)51-29-16-34-57-60(51)50-27-12-14-33-56(50)63-57)58-36-35-49-45-25-10-8-23-43(45)39-53(49)61(58)37-17-30-48-44-24-9-7-22-42(44)38-52(48)61/h1-39H.
What are the key properties of N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine?
N-(2-dibenzofuran-1-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine has a molecular weight of 801.99 g/mol, XLogP of 16.14, 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-yl-3-phenylphenyl)-N-(2-phenylphenyl)-1,1'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 166134785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).