N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C60H44N2 — CID 122419765

IUPACN,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H44N2/c1-6-16-45(17-7-1)48-26-35-55(36-27-48)61(56-37-28-49(29-38-56)46-18-8-2-9-19-46)57-39-30-50(31-40-57)51-32-41-58(42-33-51)62(54-24-14-5-15-25-54)60-43-34-53(47-20-10-3-11-21-47)44-59(60)52-22-12-4-13-23-52/h1-44H
InChIKeyWQONUXSOBWEEBL-UHFFFAOYSA-N
MW793.03 g/mol
LogP16.96
Rot. Bonds11

About N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 122419765) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID122419765
Molecular FormulaC60H44N2
Molecular Weight793.03 g/mol
Exact Mass792.35
IUPAC NameN,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H44N2/c1-6-16-45(17-7-1)48-26-35-55(36-27-48)61(56-37-28-49(29-38-56)46-18-8-2-9-19-46)57-39-30-50(31-40-57)51-32-41-58(42-33-51)62(54-24-14-5-15-25-54)60-43-34-53(47-20-10-3-11-21-47)44-59(60)52-22-12-4-13-23-52/h1-44H
InChIKeyWQONUXSOBWEEBL-UHFFFAOYSA-N
XLogP16.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.03
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200

Frequently Asked Questions

What is the IUPAC name of N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 122419765) is N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is WQONUXSOBWEEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-6-16-45(17-7-1)48-26-35-55(36-27-48)61(56-37-28-49(29-38-56)46-18-8-2-9-19-46)57-39-30-50(31-40-57)51-32-41-58(42-33-51)62(54-24-14-5-15-25-54)60-43-34-53(47-20-10-3-11-21-47)44-59(60)52-22-12-4-13-23-52/h1-44H.
What are the key properties of N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 793.03 g/mol, XLogP of 16.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 122419765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).