N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline

C39H34N2O2 — CID 15701550

IUPACN-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline
SMILESc1ccc(N(Cc2ccc(OCOc3ccc(CN(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N2O2/c1-5-13-34(14-6-1)40(35-15-7-2-8-16-35)29-32-21-25-38(26-22-32)42-31-43-39-27-23-33(24-28-39)30-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28H,29-31H2
InChIKeyKRDJEDLYIVXUAN-UHFFFAOYSA-N
MW562.71 g/mol
LogP9.78
Rot. Bonds12

About N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline

N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline (PubChem CID 15701550) has the molecular formula C39H34N2O2 and a molecular weight of 562.71 g/mol. Its IUPAC name is N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline
PubChem CID15701550
Molecular FormulaC39H34N2O2
Molecular Weight562.71 g/mol
Exact Mass562.26
IUPAC NameN-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline
SMILESc1ccc(N(Cc2ccc(OCOc3ccc(CN(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C39H34N2O2/c1-5-13-34(14-6-1)40(35-15-7-2-8-16-35)29-32-21-25-38(26-22-32)42-31-43-39-27-23-33(24-28-39)30-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28H,29-31H2
InChIKeyKRDJEDLYIVXUAN-UHFFFAOYSA-N
XLogP9.78
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
CID 58430122
N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
CID 159513520
[4-[4-[N-[[4-(N-phenylanilino)phenyl]methyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520157
4-(N-benzyl-4-formylanilino)benzaldehyde
CID 18955916
N-[(4-methoxyphenyl)methyl]-5-methyl-N-phenyl-1,2-oxazol-3-amine
CID 91053998
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
9-N-benzyl-9-N,10-N,10-N-triphenylanthracene-9,10-diamine
CID 134477124
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N-methyl-N-(phenoxymethyl)aniline
CID 20818319

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline?
The IUPAC name of N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline (CID 15701550) is N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline is c1ccc(N(Cc2ccc(OCOc3ccc(CN(c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline?
The InChIKey is KRDJEDLYIVXUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2O2/c1-5-13-34(14-6-1)40(35-15-7-2-8-16-35)29-32-21-25-38(26-22-32)42-31-43-39-27-23-33(24-28-39)30-41(36-17-9-3-10-18-36)37-19-11-4-12-20-37/h1-28H,29-31H2.
What are the key properties of N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline?
N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline has a molecular weight of 562.71 g/mol, XLogP of 9.78, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 15701550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).