4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C56H45N3O2 — CID 90228198

IUPAC4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H45N3O2/c1-60-55-38-34-53(35-39-55)58(47-14-8-4-9-15-47)51-30-22-44(23-31-51)42-18-26-49(27-19-42)57(46-12-6-3-7-13-46)50-28-20-43(21-29-50)45-24-32-52(33-25-45)59(48-16-10-5-11-17-48)54-36-40-56(61-2)41-37-54/h3-41H,1-2H3
InChIKeyGOKXFCJDXHWWNC-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.45
Rot. Bonds13

About 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline

4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 90228198) has the molecular formula C56H45N3O2 and a molecular weight of 792.00 g/mol. Its IUPAC name is 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID90228198
Molecular FormulaC56H45N3O2
Molecular Weight792.00 g/mol
Exact Mass791.35
IUPAC Name4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H45N3O2/c1-60-55-38-34-53(35-39-55)58(47-14-8-4-9-15-47)51-30-22-44(23-31-51)42-18-26-49(27-19-42)57(46-12-6-3-7-13-46)50-28-20-43(21-29-50)45-24-32-52(33-25-45)59(48-16-10-5-11-17-48)54-36-40-56(61-2)41-37-54/h3-41H,1-2H3
InChIKeyGOKXFCJDXHWWNC-UHFFFAOYSA-N
XLogP15.45
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
N-(4-chlorophenyl)-N-(4-methoxyphenyl)-4-phenylaniline
CID 20734414
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
4-methoxy-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]sulfanylphenyl]-N-phenylaniline
CID 18996812

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 90228198) is 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline is COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is GOKXFCJDXHWWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3O2/c1-60-55-38-34-53(35-39-55)58(47-14-8-4-9-15-47)51-30-22-44(23-31-51)42-18-26-49(27-19-42)57(46-12-6-3-7-13-46)50-28-20-43(21-29-50)45-24-32-52(33-25-45)59(48-16-10-5-11-17-48)54-36-40-56(61-2)41-37-54/h3-41H,1-2H3.
What are the key properties of 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 792.00 g/mol, XLogP of 15.45, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 90228198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).