N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline

C57H41N3 — CID 59501321

IUPACN,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nn3-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H41N3/c1-5-17-42(18-6-1)43-29-31-47(32-30-43)57-41-56(46-19-7-2-8-20-46)58-60(57)51-39-35-45(36-40-51)53-26-14-16-28-55(53)54-27-15-13-25-52(54)44-33-37-50(38-34-44)59(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H
InChIKeyMCGXAFNEXVWXFW-UHFFFAOYSA-N
MW767.98 g/mol
LogP15.34
Rot. Bonds10

About N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline

N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline (PubChem CID 59501321) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
PubChem CID59501321
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC NameN,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nn3-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H41N3/c1-5-17-42(18-6-1)43-29-31-47(32-30-43)57-41-56(46-19-7-2-8-20-46)58-60(57)51-39-35-45(36-40-51)53-26-14-16-28-55(53)54-27-15-13-25-52(54)44-33-37-50(38-34-44)59(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H
InChIKeyMCGXAFNEXVWXFW-UHFFFAOYSA-N
XLogP15.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,N-diphenylaniline
CID 59500016
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 59499901
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
1,3,5-triphenylpyrazole
CID 626614
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline (CID 59501321) is N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nn3-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline?
The InChIKey is MCGXAFNEXVWXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-5-17-42(18-6-1)43-29-31-47(32-30-43)57-41-56(46-19-7-2-8-20-46)58-60(57)51-39-35-45(36-40-51)53-26-14-16-28-55(53)54-27-15-13-25-52(54)44-33-37-50(38-34-44)59(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-41H.
What are the key properties of N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline?
N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline has a molecular weight of 767.98 g/mol, XLogP of 15.34, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 59501321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).