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

C56H39N — CID 130353837

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

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

N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 130353837) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID130353837
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C56H39N/c1-3-13-40(14-4-1)47-37-48(41-15-5-2-6-16-41)39-49(38-47)42-25-31-50(32-26-42)57(51-33-27-45(28-34-51)55-23-11-19-43-17-7-9-21-53(43)55)52-35-29-46(30-36-52)56-24-12-20-44-18-8-10-22-54(44)56/h1-39H
InChIKeyJTMVVCIPAWEJKG-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-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 130353837) is N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is JTMVVCIPAWEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-3-13-40(14-4-1)47-37-48(41-15-5-2-6-16-41)39-49(38-47)42-25-31-50(32-26-42)57(51-33-27-45(28-34-51)55-23-11-19-43-17-7-9-21-53(43)55)52-35-29-46(30-36-52)56-24-12-20-44-18-8-10-22-54(44)56/h1-39H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-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]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 130353837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).