N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C64H45N — CID 174254274

IUPACN-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H45N/c1-5-20-46(21-6-1)57-31-15-17-33-59(57)60-34-18-16-32-58(60)52-38-42-54(43-39-52)65(53-40-36-51(37-41-53)56-35-19-29-47-28-13-14-30-55(47)56)64-45-62(49-24-9-3-10-25-49)61(48-22-7-2-8-23-48)44-63(64)50-26-11-4-12-27-50/h1-45H
InChIKeyGDBMWRLYOMGLFS-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

About N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 174254274) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID174254274
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H45N/c1-5-20-46(21-6-1)57-31-15-17-33-59(57)60-34-18-16-32-58(60)52-38-42-54(43-39-52)65(53-40-36-51(37-41-53)56-35-19-29-47-28-13-14-30-55(47)56)64-45-62(49-24-9-3-10-25-49)61(48-22-7-2-8-23-48)44-63(64)50-26-11-4-12-27-50/h1-45H
InChIKeyGDBMWRLYOMGLFS-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N-[2-(4-naphthalen-1-ylphenyl)phenyl]-4-phenanthren-4-yl-N,2,5-triphenylaniline
CID 170065871
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
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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 174254274) is N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)c(N(c3ccc(-c4ccccc4-c4ccccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is GDBMWRLYOMGLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-5-20-46(21-6-1)57-31-15-17-33-59(57)60-34-18-16-32-58(60)52-38-42-54(43-39-52)65(53-40-36-51(37-41-53)56-35-19-29-47-28-13-14-30-55(47)56)64-45-62(49-24-9-3-10-25-49)61(48-22-7-2-8-23-48)44-63(64)50-26-11-4-12-27-50/h1-45H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 828.07 g/mol, XLogP of 17.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2,4,5-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 174254274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).