[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate

C32H25NO2 — CID 58803524

IUPAC[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(OC=O)cc3)cc2)cc1
InChIInChI=1S/C32H25NO2/c1-24-7-15-29(16-8-24)33(30-17-9-26(10-18-30)25-5-3-2-4-6-25)31-19-11-27(12-20-31)28-13-21-32(22-14-28)35-23-34/h2-23H,1H3
InChIKeyMRFFNZLBVJPNHT-UHFFFAOYSA-N
MW455.56 g/mol
LogP8.33
Rot. Bonds7

About [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate

[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate (PubChem CID 58803524) has the molecular formula C32H25NO2 and a molecular weight of 455.56 g/mol. Its IUPAC name is [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate.

Molecular Properties

Compound Name[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate
PubChem CID58803524
Molecular FormulaC32H25NO2
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate
SMILESCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(OC=O)cc3)cc2)cc1
InChIInChI=1S/C32H25NO2/c1-24-7-15-29(16-8-24)33(30-17-9-26(10-18-30)25-5-3-2-4-6-25)31-19-11-27(12-20-31)28-13-21-32(22-14-28)35-23-34/h2-23H,1H3
InChIKeyMRFFNZLBVJPNHT-UHFFFAOYSA-N
XLogP8.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 58.33
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-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
[3-[4-(N-phenylanilino)phenyl]phenyl] formate
CID 58803548
[4-[4-(4-methyl-N-pyren-1-ylanilino)phenyl]phenyl] formate
CID 58803545
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
N-[4-[4-(N-methylanilino)phenoxy]phenyl]-4-(4-methylphenyl)-N-phenylaniline
CID 23593163
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate?
The IUPAC name of [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate (CID 58803524) is [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate.
What is the SMILES notation for [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate?
The canonical SMILES for [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate is Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(OC=O)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate?
The InChIKey is MRFFNZLBVJPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2/c1-24-7-15-29(16-8-24)33(30-17-9-26(10-18-30)25-5-3-2-4-6-25)31-19-11-27(12-20-31)28-13-21-32(22-14-28)35-23-34/h2-23H,1H3.
What are the key properties of [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate?
[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate has a molecular weight of 455.56 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl] formate is sourced from PubChem (CID 58803524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).