N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline

C58H47N — CID 164744849

IUPACN,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
SMILESCC1(C)C(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(C6=Cc7ccccc7C6(C)C)cc5)cc4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C58H47N/c1-57(2)53-16-10-8-14-48(53)38-55(57)46-22-18-41(19-23-46)44-28-34-51(35-29-44)59(50-32-26-43(27-33-50)40-12-6-5-7-13-40)52-36-30-45(31-37-52)42-20-24-47(25-21-42)56-39-49-15-9-11-17-54(49)58(56,3)4/h5-39H,1-4H3
InChIKeyGCESCGGPJOFFBZ-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.82
Rot. Bonds8

About N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline

N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 164744849) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID164744849
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC NameN,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline
SMILESCC1(C)C(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(C6=Cc7ccccc7C6(C)C)cc5)cc4)cc3)cc2)=Cc2ccccc21
InChIInChI=1S/C58H47N/c1-57(2)53-16-10-8-14-48(53)38-55(57)46-22-18-41(19-23-46)44-28-34-51(35-29-44)59(50-32-26-43(27-33-50)40-12-6-5-7-13-40)52-36-30-45(31-37-52)42-20-24-47(25-21-42)56-39-49-15-9-11-17-54(49)58(56,3)4/h5-39H,1-4H3
InChIKeyGCESCGGPJOFFBZ-UHFFFAOYSA-N
XLogP15.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1-dimethylinden-2-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744877
N-[4-(7,7-dimethylcyclopenta[c]pyridin-6-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 164744580
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
4-[1,1-bis(4-methylphenyl)inden-2-yl]-N,N-bis[4-[1,1-bis(4-methylphenyl)inden-2-yl]phenyl]aniline
CID 59729653
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 90365627
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,1'-indene]-2'-ylphenyl)aniline
CID 164744457
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline (CID 164744849) is N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline is CC1(C)C(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(C6=Cc7ccccc7C6(C)C)cc5)cc4)cc3)cc2)=Cc2ccccc21.
What is the InChIKey of N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is GCESCGGPJOFFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)53-16-10-8-14-48(53)38-55(57)46-22-18-41(19-23-46)44-28-34-51(35-29-44)59(50-32-26-43(27-33-50)40-12-6-5-7-13-40)52-36-30-45(31-37-52)42-20-24-47(25-21-42)56-39-49-15-9-11-17-54(49)58(56,3)4/h5-39H,1-4H3.
What are the key properties of N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline?
N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 758.02 g/mol, XLogP of 15.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-(1,1-dimethylinden-2-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 164744849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).