N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

C48H38N2 — CID 156696923

IUPACN,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)(N(c2ccccc2)c2ccccc2)CC=C1c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H38N2/c1-6-16-38(17-7-1)39-26-30-42(31-27-39)48(50(46-22-12-4-13-23-46)47-24-14-5-15-25-47)36-34-41(35-37-48)40-28-32-45(33-29-40)49(43-18-8-2-9-19-43)44-20-10-3-11-21-44/h1-36H,37H2
InChIKeyFVSZBRKNKHRUHC-UHFFFAOYSA-N
MW642.85 g/mol
LogP12.90
Rot. Bonds9

About N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 156696923) has the molecular formula C48H38N2 and a molecular weight of 642.85 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID156696923
Molecular FormulaC48H38N2
Molecular Weight642.85 g/mol
Exact Mass642.30
IUPAC NameN,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)(N(c2ccccc2)c2ccccc2)CC=C1c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H38N2/c1-6-16-38(17-7-1)39-26-30-42(31-27-39)48(50(46-22-12-4-13-23-46)47-24-14-5-15-25-47)36-34-41(35-37-48)40-28-32-45(33-29-40)49(43-18-8-2-9-19-43)44-20-10-3-11-21-44/h1-36H,37H2
InChIKeyFVSZBRKNKHRUHC-UHFFFAOYSA-N
XLogP12.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-[4-[1-(N-(3-hydroxyphenyl)anilino)-4-phenylcyclohexa-2,4-dien-1-yl]phenyl]anilino)phenol
CID 149250478
N-[4-[4-(4-butyl-N-(3-methylphenyl)anilino)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-N-(4-butylphenyl)-3-methylaniline
CID 66624935
4-butyl-N-[4-[4-(4-butyl-N-(4-propan-2-ylphenyl)anilino)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline
CID 66624944
N-[4-[4-(4-butyl-N-(4-butylphenyl)anilino)phenyl]-1-phenylcyclohexa-2,4-dien-1-yl]-3-methyl-N-(3-methylphenyl)aniline
CID 67527922
1-N,1-N'-bis(4-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66967892
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (CID 156696923) is N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is C1=CC(c2ccc(-c3ccccc3)cc2)(N(c2ccccc2)c2ccccc2)CC=C1c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is FVSZBRKNKHRUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N2/c1-6-16-38(17-7-1)39-26-30-42(31-27-39)48(50(46-22-12-4-13-23-46)47-24-14-5-15-25-47)36-34-41(35-37-48)40-28-32-45(33-29-40)49(43-18-8-2-9-19-43)44-20-10-3-11-21-44/h1-36H,37H2.
What are the key properties of N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 642.85 g/mol, XLogP of 12.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-(N-phenylanilino)-4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 156696923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).