N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

C56H39N — CID 167324368

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1
InChIInChI=1S/C56H39N/c1-3-13-40(14-4-1)49-36-50(41-15-5-2-6-16-41)38-51(37-49)43-27-31-52(32-28-43)57(53-33-29-45(30-34-53)56-24-12-20-44-18-9-10-23-55(44)56)54-22-11-21-47(39-54)48-26-25-42-17-7-8-19-46(42)35-48/h1-39H
InChIKeyUHHSOJKCEBNGFY-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167324368) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167324368
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1
InChIInChI=1S/C56H39N/c1-3-13-40(14-4-1)49-36-50(41-15-5-2-6-16-41)38-51(37-49)43-27-31-52(32-28-43)57(53-33-29-45(30-34-53)56-24-12-20-44-18-9-10-23-55(44)56)54-22-11-21-47(39-54)48-26-25-42-17-7-8-19-46(42)35-48/h1-39H
InChIKeyUHHSOJKCEBNGFY-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]aniline
CID 118901528
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167324368) is N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is UHHSOJKCEBNGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-3-13-40(14-4-1)49-36-50(41-15-5-2-6-16-41)38-51(37-49)43-27-31-52(32-28-43)57(53-33-29-45(30-34-53)56-24-12-20-44-18-9-10-23-55(44)56)54-22-11-21-47(39-54)48-26-25-42-17-7-8-19-46(42)35-48/h1-39H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167324368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).