N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline

C56H39N — CID 175769552

IUPACN,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-43(17-5-1)53-38-52(44-28-24-41(25-29-44)49-30-26-39-14-10-12-22-47(39)36-49)54(45-18-6-2-7-19-45)55(46-20-8-3-9-21-46)56(53)57-51-34-32-42(33-35-51)50-31-27-40-15-11-13-23-48(40)37-50/h1-38,57H
InChIKeyKZHWFUXSXZONOF-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.74
Rot. Bonds8

About N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline

N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline (PubChem CID 175769552) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline.

Molecular Properties

Compound NameN,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline
PubChem CID175769552
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C56H39N/c1-4-16-43(17-5-1)53-38-52(44-28-24-41(25-29-44)49-30-26-39-14-10-12-22-47(39)36-49)54(45-18-6-2-7-19-45)55(46-20-8-3-9-21-46)56(53)57-51-34-32-42(33-35-51)50-31-27-40-15-11-13-23-48(40)37-50/h1-38,57H
InChIKeyKZHWFUXSXZONOF-UHFFFAOYSA-N
XLogP15.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
N-(4-naphthalen-2-ylphenyl)-3-phenyl-4-(3-phenylphenyl)aniline
CID 166769723
N,6-diphenylnaphthalen-2-amine
CID 67205043
2-(2,3,4,5-tetraphenylphenyl)-6-[(E)-2-[6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]naphthalen-2-yl]ethenyl]naphthalene
CID 59801158
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
2-phenyl-N-(4-phenylphenyl)-4-(3,4,5-triphenylphenyl)aniline
CID 155123182
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
benzo[f]azulene
CID 13065869
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline?
The IUPAC name of N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline (CID 175769552) is N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline.
What is the SMILES notation for N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline?
The canonical SMILES for N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(-c3ccccc3)c(-c3ccccc3)c2Nc2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline?
The InChIKey is KZHWFUXSXZONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-4-16-43(17-5-1)53-38-52(44-28-24-41(25-29-44)49-30-26-39-14-10-12-22-47(39)36-49)54(45-18-6-2-7-19-45)55(46-20-8-3-9-21-46)56(53)57-51-34-32-42(33-35-51)50-31-27-40-15-11-13-23-48(40)37-50/h1-38,57H.
What are the key properties of N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline?
N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline has a molecular weight of 725.94 g/mol, XLogP of 15.74, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-naphthalen-2-ylphenyl)-2,3,6-triphenylaniline is sourced from PubChem (CID 175769552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).