N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline

C64H45N — CID 156808676

IUPACN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H45N/c1-6-18-46(19-7-1)56-43-62(51-25-12-4-13-26-51)64(63(44-56)52-27-14-5-15-28-52)53-34-38-58(39-35-53)65(57-36-32-48(33-37-57)55-31-30-47-20-16-17-29-54(47)42-55)59-40-41-60(49-21-8-2-9-22-49)61(45-59)50-23-10-3-11-24-50/h1-45H
InChIKeyWQSLQIZLGJHAIP-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

About N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline (PubChem CID 156808676) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
PubChem CID156808676
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C64H45N/c1-6-18-46(19-7-1)56-43-62(51-25-12-4-13-26-51)64(63(44-56)52-27-14-5-15-28-52)53-34-38-58(39-35-53)65(57-36-32-48(33-37-57)55-31-30-47-20-16-17-29-54(47)42-55)59-40-41-60(49-21-8-2-9-22-49)61(45-59)50-23-10-3-11-24-50/h1-45H
InChIKeyWQSLQIZLGJHAIP-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-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
CID 175802280
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
N,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
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
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135163982
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155122949
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline (CID 156808676) is N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The InChIKey is WQSLQIZLGJHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-6-18-46(19-7-1)56-43-62(51-25-12-4-13-26-51)64(63(44-56)52-27-14-5-15-28-52)53-34-38-58(39-35-53)65(57-36-32-48(33-37-57)55-31-30-47-20-16-17-29-54(47)42-55)59-40-41-60(49-21-8-2-9-22-49)61(45-59)50-23-10-3-11-24-50/h1-45H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)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-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline is sourced from PubChem (CID 156808676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).