3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline

C62H43N — CID 168788673

IUPAC3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H43N/c1-3-17-44(18-4-1)57-29-11-12-30-61(57)62-59(47-19-5-2-6-20-47)33-16-34-60(62)49-37-41-52(42-38-49)63(51-39-35-48(36-40-51)56-31-14-23-45-21-7-9-27-54(45)56)53-26-13-25-50(43-53)58-32-15-24-46-22-8-10-28-55(46)58/h1-43H
InChIKeyBUTOLWNYMAASLE-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 168788673) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID168788673
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H43N/c1-3-17-44(18-4-1)57-29-11-12-30-61(57)62-59(47-19-5-2-6-20-47)33-16-34-60(62)49-37-41-52(42-38-49)63(51-39-35-48(36-40-51)56-31-14-23-45-21-7-9-27-54(45)56)53-26-13-25-50(43-53)58-32-15-24-46-22-8-10-28-55(46)58/h1-43H
InChIKeyBUTOLWNYMAASLE-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
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
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 168790646
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
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-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 168788673) is 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is BUTOLWNYMAASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-3-17-44(18-4-1)57-29-11-12-30-61(57)62-59(47-19-5-2-6-20-47)33-16-34-60(62)49-37-41-52(42-38-49)63(51-39-35-48(36-40-51)56-31-14-23-45-21-7-9-27-54(45)56)53-26-13-25-50(43-53)58-32-15-24-46-22-8-10-28-55(46)58/h1-43H.
What are the key properties of 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline?
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 168788673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).