2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine

C55H37N — CID 156578662

IUPAC2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C55H37N/c1-5-17-38(18-6-1)40-29-32-45(39-19-7-2-8-20-39)50(35-40)41-30-33-48-46-25-13-15-27-51(46)55(53(48)36-41)52-28-16-14-26-47(52)49-34-31-44(37-54(49)55)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H
InChIKeyVUWBXKGGSGAWOD-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.50
Rot. Bonds6

About 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine

2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 156578662) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID156578662
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC Name2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C55H37N/c1-5-17-38(18-6-1)40-29-32-45(39-19-7-2-8-20-39)50(35-40)41-30-33-48-46-25-13-15-27-51(46)55(53(48)36-41)52-28-16-14-26-47(52)49-34-31-44(37-54(49)55)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H
InChIKeyVUWBXKGGSGAWOD-UHFFFAOYSA-N
XLogP14.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine (CID 156578662) is 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc43)c2)cc1.
What is the InChIKey of 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is VUWBXKGGSGAWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-5-17-38(18-6-1)40-29-32-45(39-19-7-2-8-20-39)50(35-40)41-30-33-48-46-25-13-15-27-51(46)55(53(48)36-41)52-28-16-14-26-47(52)49-34-31-44(37-54(49)55)56(42-21-9-3-10-22-42)43-23-11-4-12-24-43/h1-37H.
What are the key properties of 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine?
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 711.91 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 156578662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).