N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline

C80H56N2 — CID 58900796

IUPACN-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C80H56N2/c1-5-19-57(20-6-1)67-51-68(58-21-7-2-8-22-58)54-75(53-67)81(73-47-39-65(40-48-73)79-33-17-29-63-27-13-15-31-77(63)79)71-43-35-61(36-44-71)62-37-45-72(46-38-62)82(74-49-41-66(42-50-74)80-34-18-30-64-28-14-16-32-78(64)80)76-55-69(59-23-9-3-10-24-59)52-70(56-76)60-25-11-4-12-26-60/h1-56H
InChIKeyVYNUAMNTQRGKEN-UHFFFAOYSA-N
MW1045.34 g/mol
LogP22.60
Rot. Bonds13

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

N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline (PubChem CID 58900796) has the molecular formula C80H56N2 and a molecular weight of 1045.34 g/mol. Its IUPAC name is N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
PubChem CID58900796
Molecular FormulaC80H56N2
Molecular Weight1045.34 g/mol
Exact Mass1044.44
IUPAC NameN-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C80H56N2/c1-5-19-57(20-6-1)67-51-68(58-21-7-2-8-22-58)54-75(53-67)81(73-47-39-65(40-48-73)79-33-17-29-63-27-13-15-31-77(63)79)71-43-35-61(36-44-71)62-37-45-72(46-38-62)82(74-49-41-66(42-50-74)80-34-18-30-64-28-14-16-32-78(64)80)76-55-69(59-23-9-3-10-24-59)52-70(56-76)60-25-11-4-12-26-60/h1-56H
InChIKeyVYNUAMNTQRGKEN-UHFFFAOYSA-N
XLogP22.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.34
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
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-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
N,N-bis(4-dibenzofuran-2-ylphenyl)-3,5-diphenylaniline;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-naphthalen-1-ylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 157066218
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?
The IUPAC name of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline (CID 58900796) is N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline.
What is the SMILES notation for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?
The canonical SMILES for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?
The InChIKey is VYNUAMNTQRGKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N2/c1-5-19-57(20-6-1)67-51-68(58-21-7-2-8-22-58)54-75(53-67)81(73-47-39-65(40-48-73)79-33-17-29-63-27-13-15-31-77(63)79)71-43-35-61(36-44-71)62-37-45-72(46-38-62)82(74-49-41-66(42-50-74)80-34-18-30-64-28-14-16-32-78(64)80)76-55-69(59-23-9-3-10-24-59)52-70(56-76)60-25-11-4-12-26-60/h1-56H.
What are the key properties of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline?
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline has a molecular weight of 1045.34 g/mol, XLogP of 22.60, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 58900796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).