N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

C43H31N3 — CID 59499901

IUPACN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)n2)cc1
InChIInChI=1S/C43H31N3/c1-4-13-34(14-5-1)42-31-43(35-15-6-2-7-16-35)46(44-42)41-28-26-40(27-29-41)45(38-18-8-3-9-19-38)39-24-22-33(23-25-39)37-21-20-32-12-10-11-17-36(32)30-37/h1-31H
InChIKeyZMQKFNBXHGNCCX-UHFFFAOYSA-N
MW589.74 g/mol
LogP11.50
Rot. Bonds7

About N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline

N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (PubChem CID 59499901) has the molecular formula C43H31N3 and a molecular weight of 589.74 g/mol. Its IUPAC name is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
PubChem CID59499901
Molecular FormulaC43H31N3
Molecular Weight589.74 g/mol
Exact Mass589.25
IUPAC NameN-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)n2)cc1
InChIInChI=1S/C43H31N3/c1-4-13-34(14-5-1)42-31-43(35-15-6-2-7-16-35)46(44-42)41-28-26-40(27-29-41)45(38-18-8-3-9-19-38)39-24-22-33(23-25-39)37-21-20-32-12-10-11-17-36(32)30-37/h1-31H
InChIKeyZMQKFNBXHGNCCX-UHFFFAOYSA-N
XLogP11.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.74
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
N,N-diphenyl-4-[2-[2-[4-[3-phenyl-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]aniline
CID 59501321
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
N-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 59501229
1,3,5-triphenylpyrazole
CID 626614
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The IUPAC name of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline (CID 59499901) is N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline.
What is the SMILES notation for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The canonical SMILES for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc3)n2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
The InChIKey is ZMQKFNBXHGNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3/c1-4-13-34(14-5-1)42-31-43(35-15-6-2-7-16-35)46(44-42)41-28-26-40(27-29-41)45(38-18-8-3-9-19-38)39-24-22-33(23-25-39)37-21-20-32-12-10-11-17-36(32)30-37/h1-31H.
What are the key properties of N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline?
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline has a molecular weight of 589.74 g/mol, XLogP of 11.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline is sourced from PubChem (CID 59499901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).