N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide

C62H47N3O — CID 59793191

IUPACN,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H47N3O/c1-46(66)63(59-38-30-51(31-39-59)47-22-26-49(27-23-47)53-34-42-61(43-35-53)64(55-14-6-2-7-15-55)56-16-8-3-9-17-56)60-40-32-52(33-41-60)48-24-28-50(29-25-48)54-36-44-62(45-37-54)65(57-18-10-4-11-19-57)58-20-12-5-13-21-58/h2-45H,1H3
InChIKeyJIEVDAVQBXHYNP-UHFFFAOYSA-N
MW850.08 g/mol
LogP16.98
Rot. Bonds12

About N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide

N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide (PubChem CID 59793191) has the molecular formula C62H47N3O and a molecular weight of 850.08 g/mol. Its IUPAC name is N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
PubChem CID59793191
Molecular FormulaC62H47N3O
Molecular Weight850.08 g/mol
Exact Mass849.37
IUPAC NameN,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
SMILESCC(=O)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C62H47N3O/c1-46(66)63(59-38-30-51(31-39-59)47-22-26-49(27-23-47)53-34-42-61(43-35-53)64(55-14-6-2-7-15-55)56-16-8-3-9-17-56)60-40-32-52(33-41-60)48-24-28-50(29-25-48)54-36-44-62(45-37-54)65(57-18-10-4-11-19-57)58-20-12-5-13-21-58/h2-45H,1H3
InChIKeyJIEVDAVQBXHYNP-UHFFFAOYSA-N
XLogP16.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
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CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
4-(N-acetylanilino)benzoic acid
CID 138332806
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
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-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide?
The IUPAC name of N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide (CID 59793191) is N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide?
The canonical SMILES for N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide is CC(=O)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide?
The InChIKey is JIEVDAVQBXHYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N3O/c1-46(66)63(59-38-30-51(31-39-59)47-22-26-49(27-23-47)53-34-42-61(43-35-53)64(55-14-6-2-7-15-55)56-16-8-3-9-17-56)60-40-32-52(33-41-60)48-24-28-50(29-25-48)54-36-44-62(45-37-54)65(57-18-10-4-11-19-57)58-20-12-5-13-21-58/h2-45H,1H3.
What are the key properties of N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide?
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide has a molecular weight of 850.08 g/mol, XLogP of 16.98, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 59793191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).