N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline

C58H43N — CID 137468995

IUPACN,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline
SMILESc1ccc(C(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C58H43N/c1-4-17-42(18-5-1)48(40-33-41-31-38-47(39-32-41)59(45-19-6-2-7-20-45)46-21-8-3-9-22-46)43-34-36-44(37-35-43)49-26-16-30-56-57(49)52-25-12-15-29-55(52)58(56)53-27-13-10-23-50(53)51-24-11-14-28-54(51)58/h1-32,34-39,48H,33,40H2
InChIKeyUAAFJPIQEGVFQC-UHFFFAOYSA-N
MW753.99 g/mol
LogP14.93
Rot. Bonds9

About N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline

N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline (PubChem CID 137468995) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline
PubChem CID137468995
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline
SMILESc1ccc(C(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C58H43N/c1-4-17-42(18-5-1)48(40-33-41-31-38-47(39-32-41)59(45-19-6-2-7-20-45)46-21-8-3-9-22-46)43-34-36-44(37-35-43)49-26-16-30-56-57(49)52-25-12-15-29-55(52)58(56)53-27-13-10-23-50(53)51-24-11-14-28-54(51)58/h1-32,34-39,48H,33,40H2
InChIKeyUAAFJPIQEGVFQC-UHFFFAOYSA-N
XLogP14.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 156524799
N,4-diphenyl-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-3-yl)phenyl]aniline
CID 129259026
N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 123648754
CID 118153657
CID 118153657
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
CID 142480948
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N,2-diphenyl-N-[4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]phenyl]aniline
CID 140915383
4-[3-dibenzofuran-3-yl-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)propyl]-N,N-diphenylaniline
CID 138667072
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
CID 118153721
CID 118153721

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline (CID 137468995) is N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline is c1ccc(C(CCc2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline?
The InChIKey is UAAFJPIQEGVFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-4-17-42(18-5-1)48(40-33-41-31-38-47(39-32-41)59(45-19-6-2-7-20-45)46-21-8-3-9-22-46)43-34-36-44(37-35-43)49-26-16-30-56-57(49)52-25-12-15-29-55(52)58(56)53-27-13-10-23-50(53)51-24-11-14-28-54(51)58/h1-32,34-39,48H,33,40H2.
What are the key properties of N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline?
N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline has a molecular weight of 753.99 g/mol, XLogP of 14.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-phenyl-3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]propyl]aniline is sourced from PubChem (CID 137468995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).