[3-[4-(N-phenylanilino)phenyl]phenyl] formate

C25H19NO2 — CID 58803548

IUPAC[3-[4-(N-phenylanilino)phenyl]phenyl] formate
SMILESO=COc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H19NO2/c27-19-28-25-13-7-8-21(18-25)20-14-16-24(17-15-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-19H
InChIKeyCYFUQECWXBKNNI-UHFFFAOYSA-N
MW365.43 g/mol
LogP6.36
Rot. Bonds6

About [3-[4-(N-phenylanilino)phenyl]phenyl] formate

[3-[4-(N-phenylanilino)phenyl]phenyl] formate (PubChem CID 58803548) has the molecular formula C25H19NO2 and a molecular weight of 365.43 g/mol. Its IUPAC name is [3-[4-(N-phenylanilino)phenyl]phenyl] formate.

Molecular Properties

Compound Name[3-[4-(N-phenylanilino)phenyl]phenyl] formate
PubChem CID58803548
Molecular FormulaC25H19NO2
Molecular Weight365.43 g/mol
Exact Mass365.14
IUPAC Name[3-[4-(N-phenylanilino)phenyl]phenyl] formate
SMILESO=COc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C25H19NO2/c27-19-28-25-13-7-8-21(18-25)20-14-16-24(17-15-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-19H
InChIKeyCYFUQECWXBKNNI-UHFFFAOYSA-N
XLogP6.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate
CID 58803524
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038

Frequently Asked Questions

What is the IUPAC name of [3-[4-(N-phenylanilino)phenyl]phenyl] formate?
The IUPAC name of [3-[4-(N-phenylanilino)phenyl]phenyl] formate (CID 58803548) is [3-[4-(N-phenylanilino)phenyl]phenyl] formate.
What is the SMILES notation for [3-[4-(N-phenylanilino)phenyl]phenyl] formate?
The canonical SMILES for [3-[4-(N-phenylanilino)phenyl]phenyl] formate is O=COc1cccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [3-[4-(N-phenylanilino)phenyl]phenyl] formate?
The InChIKey is CYFUQECWXBKNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO2/c27-19-28-25-13-7-8-21(18-25)20-14-16-24(17-15-20)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-19H.
What are the key properties of [3-[4-(N-phenylanilino)phenyl]phenyl] formate?
[3-[4-(N-phenylanilino)phenyl]phenyl] formate has a molecular weight of 365.43 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(N-phenylanilino)phenyl]phenyl] formate is sourced from PubChem (CID 58803548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).