N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline

C58H49N3O3 — CID 58939356

IUPACN-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
SMILESCOc1cccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C58H49N3O3/c1-62-55-25-13-22-52(40-55)59(46-16-7-4-8-17-46)49-34-28-43(29-35-49)58(44-30-36-50(37-31-44)60(47-18-9-5-10-19-47)53-23-14-26-56(41-53)63-2)45-32-38-51(39-33-45)61(48-20-11-6-12-21-48)54-24-15-27-57(42-54)64-3/h4-42,58H,1-3H3
InChIKeyWCYYJDOECKEYEB-UHFFFAOYSA-N
MW836.05 g/mol
LogP15.30
Rot. Bonds15

About N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline

N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline (PubChem CID 58939356) has the molecular formula C58H49N3O3 and a molecular weight of 836.05 g/mol. Its IUPAC name is N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
PubChem CID58939356
Molecular FormulaC58H49N3O3
Molecular Weight836.05 g/mol
Exact Mass835.38
IUPAC NameN-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline
SMILESCOc1cccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1
InChIInChI=1S/C58H49N3O3/c1-62-55-25-13-22-52(40-55)59(46-16-7-4-8-17-46)49-34-28-43(29-35-49)58(44-30-36-50(37-31-44)60(47-18-9-5-10-19-47)53-23-14-26-56(41-53)63-2)45-32-38-51(39-33-45)61(48-20-11-6-12-21-48)54-24-15-27-57(42-54)64-3/h4-42,58H,1-3H3
InChIKeyWCYYJDOECKEYEB-UHFFFAOYSA-N
XLogP15.30
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.05
LogP ≤ 515.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
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
3-methoxy-N-[4-[2-[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]ethynyl]phenyl]-N-(3-methoxyphenyl)aniline
CID 18996817
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
4-(3-methoxy-N-(3-methoxyphenyl)anilino)benzoic acid
CID 139957869
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline?
The IUPAC name of N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline (CID 58939356) is N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline.
What is the SMILES notation for N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline?
The canonical SMILES for N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline is COc1cccc(N(c2ccccc2)c2ccc(C(c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)c3ccc(N(c4ccccc4)c4cccc(OC)c4)cc3)cc2)c1.
What is the InChIKey of N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline?
The InChIKey is WCYYJDOECKEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N3O3/c1-62-55-25-13-22-52(40-55)59(46-16-7-4-8-17-46)49-34-28-43(29-35-49)58(44-30-36-50(37-31-44)60(47-18-9-5-10-19-47)53-23-14-26-56(41-53)63-2)45-32-38-51(39-33-45)61(48-20-11-6-12-21-48)54-24-15-27-57(42-54)64-3/h4-42,58H,1-3H3.
What are the key properties of N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline?
N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline has a molecular weight of 836.05 g/mol, XLogP of 15.30, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis[4-(N-(3-methoxyphenyl)anilino)phenyl]methyl]phenyl]-3-methoxy-N-phenylaniline is sourced from PubChem (CID 58939356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).