[4-(4-anilinoanilino)phenyl] tert-butyl carbonate

C23H24N2O3 — CID 19763252

IUPAC[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)28-22(26)27-21-15-13-20(14-16-21)25-19-11-9-18(10-12-19)24-17-7-5-4-6-8-17/h4-16,24-25H,1-3H3
InChIKeyNLMXUWSPRSUCOO-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.49
Rot. Bonds5

About [4-(4-anilinoanilino)phenyl] tert-butyl carbonate

[4-(4-anilinoanilino)phenyl] tert-butyl carbonate (PubChem CID 19763252) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(4-anilinoanilino)phenyl] tert-butyl carbonate.

Molecular Properties

Compound Name[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
PubChem CID19763252
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)28-22(26)27-21-15-13-20(14-16-21)25-19-11-9-18(10-12-19)24-17-7-5-4-6-8-17/h4-16,24-25H,1-3H3
InChIKeyNLMXUWSPRSUCOO-UHFFFAOYSA-N
XLogP6.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
tert-butyl (4-fluorophenyl) carbonate
CID 67162624
tert-butyl (4-iodophenyl) carbonate
CID 22345872
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
[4-(2-bromo-2-methylpropanoyl)oxyphenyl]-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-phenylsulfanium
CID 156683866
2-(4-anilinophenoxy)propanoic acid
CID 43519559
dimethyl (E)-2,3-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]but-2-enedioate
CID 73054651
[4-[2-[4-[1,1-bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]ethyl]phenyl]propan-2-yl]phenyl] tert-butyl carbonate
CID 59938996
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
tert-butyl [4-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]phenyl] carbonate
CID 173242244
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670

Frequently Asked Questions

What is the IUPAC name of [4-(4-anilinoanilino)phenyl] tert-butyl carbonate?
The IUPAC name of [4-(4-anilinoanilino)phenyl] tert-butyl carbonate (CID 19763252) is [4-(4-anilinoanilino)phenyl] tert-butyl carbonate.
What is the SMILES notation for [4-(4-anilinoanilino)phenyl] tert-butyl carbonate?
The canonical SMILES for [4-(4-anilinoanilino)phenyl] tert-butyl carbonate is CC(C)(C)OC(=O)Oc1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-anilinoanilino)phenyl] tert-butyl carbonate?
The InChIKey is NLMXUWSPRSUCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2,3)28-22(26)27-21-15-13-20(14-16-21)25-19-11-9-18(10-12-19)24-17-7-5-4-6-8-17/h4-16,24-25H,1-3H3.
What are the key properties of [4-(4-anilinoanilino)phenyl] tert-butyl carbonate?
[4-(4-anilinoanilino)phenyl] tert-butyl carbonate has a molecular weight of 376.46 g/mol, XLogP of 6.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-anilinoanilino)phenyl] tert-butyl carbonate is sourced from PubChem (CID 19763252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).