N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline

C66H45N — CID 155123185

IUPACN,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H45N/c1-6-20-47(21-7-1)61-42-52(53-44-62(48-22-8-2-9-23-48)66(50-26-12-4-13-27-50)63(45-53)49-24-10-3-11-25-49)37-41-65(61)67(54-28-14-5-15-29-54)55-38-34-46(35-39-55)51-36-40-60-58-32-17-16-30-56(58)57-31-18-19-33-59(57)64(60)43-51/h1-45H
InChIKeyYFYZXBBUONNKKL-UHFFFAOYSA-N
MW852.09 g/mol
LogP18.62
Rot. Bonds9

About N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline

N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline (PubChem CID 155123185) has the molecular formula C66H45N and a molecular weight of 852.09 g/mol. Its IUPAC name is N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline
PubChem CID155123185
Molecular FormulaC66H45N
Molecular Weight852.09 g/mol
Exact Mass851.36
IUPAC NameN,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C66H45N/c1-6-20-47(21-7-1)61-42-52(53-44-62(48-22-8-2-9-23-48)66(50-26-12-4-13-27-50)63(45-53)49-24-10-3-11-25-49)37-41-65(61)67(54-28-14-5-15-29-54)55-38-34-46(35-39-55)51-36-40-60-58-32-17-16-30-56(58)57-31-18-19-33-59(57)64(60)43-51/h1-45H
InChIKeyYFYZXBBUONNKKL-UHFFFAOYSA-N
XLogP18.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 169062596
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The IUPAC name of N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline (CID 155123185) is N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline.
What is the SMILES notation for N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The canonical SMILES for N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline is c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3)ccc2N(c2ccccc2)c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
The InChIKey is YFYZXBBUONNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N/c1-6-20-47(21-7-1)61-42-52(53-44-62(48-22-8-2-9-23-48)66(50-26-12-4-13-27-50)63(45-53)49-24-10-3-11-25-49)37-41-65(61)67(54-28-14-5-15-29-54)55-38-34-46(35-39-55)51-36-40-60-58-32-17-16-30-56(58)57-31-18-19-33-59(57)64(60)43-51/h1-45H.
What are the key properties of N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline?
N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline has a molecular weight of 852.09 g/mol, XLogP of 18.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(4-triphenylen-2-ylphenyl)-4-(3,4,5-triphenylphenyl)aniline is sourced from PubChem (CID 155123185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).