N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline

C64H45N — CID 175802280

IUPACN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5-c5ccccc5)c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-5-16-46(17-6-1)49-30-36-59(37-31-49)65(61-40-34-51(35-41-61)56-29-28-48-20-13-14-25-54(48)42-56)60-38-32-50(33-39-60)55-26-15-27-57(43-55)63-45-58(47-18-7-2-8-19-47)44-62(52-21-9-3-10-22-52)64(63)53-23-11-4-12-24-53/h1-45H
InChIKeyZSEZYZDQKBYMLY-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

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

N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline (PubChem CID 175802280) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
PubChem CID175802280
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5-c5ccccc5)c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-5-16-46(17-6-1)49-30-36-59(37-31-49)65(61-40-34-51(35-41-61)56-29-28-48-20-13-14-25-54(48)42-56)60-38-32-50(33-39-60)55-26-15-27-57(43-55)63-45-58(47-18-7-2-8-19-47)44-62(52-21-9-3-10-22-52)64(63)53-23-11-4-12-24-53/h1-45H
InChIKeyZSEZYZDQKBYMLY-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)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808676
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
N,7-diphenyl-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-2-amine
CID 166679452
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
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-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135163982
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-3-(2,4,6-triphenylphenyl)aniline
CID 126492683
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline (CID 175802280) is N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5-c5ccccc5)c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline?
The InChIKey is ZSEZYZDQKBYMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-5-16-46(17-6-1)49-30-36-59(37-31-49)65(61-40-34-51(35-41-61)56-29-28-48-20-13-14-25-54(48)42-56)60-38-32-50(33-39-60)55-26-15-27-57(43-55)63-45-58(47-18-7-2-8-19-47)44-62(52-21-9-3-10-22-52)64(63)53-23-11-4-12-24-53/h1-45H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)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-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 175802280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).