[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate

C26H20N2O2 — CID 10069083

IUPAC[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate
SMILESCc1ccc(OC(=O)c2ccccc2)c(Nn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H20N2O2/c1-18-15-16-25(30-26(29)19-9-3-2-4-10-19)22(17-18)27-28-23-13-7-5-11-20(23)21-12-6-8-14-24(21)28/h2-17,27H,1H3
InChIKeyCDQFSDPWNVNCKR-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.20
Rot. Bonds4

About [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate

[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate (PubChem CID 10069083) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate.

Molecular Properties

Compound Name[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate
PubChem CID10069083
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate
SMILESCc1ccc(OC(=O)c2ccccc2)c(Nn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C26H20N2O2/c1-18-15-16-25(30-26(29)19-9-3-2-4-10-19)22(17-18)27-28-23-13-7-5-11-20(23)21-12-6-8-14-24(21)28/h2-17,27H,1H3
InChIKeyCDQFSDPWNVNCKR-UHFFFAOYSA-N
XLogP6.20
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(carbazol-9-ylamino)-4-methylphenol
CID 10379360
[2-[[(2-benzoyloxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenyl] benzoate
CID 100999769
[2-(2-hydroxyiminododecanoyl)-4-methylphenyl] benzoate
CID 6848037
(2-butyl-4-methylphenyl) benzoate
CID 70578345
tris(4-methyl-2-phenyldiazenylphenyl) benzene-1,3,5-tricarboxylate
CID 59757248
(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
[2-(benzotriazol-2-yl)-5-methylphenyl] benzoate
CID 23991142
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
(1,5-diacetyl-6-benzoyloxynaphthalen-2-yl) benzoate
CID 571452
(4-methylsulfanylnaphthalen-1-yl) benzoate
CID 91703997

Frequently Asked Questions

What is the IUPAC name of [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate?
The IUPAC name of [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate (CID 10069083) is [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate.
What is the SMILES notation for [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate?
The canonical SMILES for [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate is Cc1ccc(OC(=O)c2ccccc2)c(Nn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate?
The InChIKey is CDQFSDPWNVNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-18-15-16-25(30-26(29)19-9-3-2-4-10-19)22(17-18)27-28-23-13-7-5-11-20(23)21-12-6-8-14-24(21)28/h2-17,27H,1H3.
What are the key properties of [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate?
[2-(carbazol-9-ylamino)-4-methylphenyl] benzoate has a molecular weight of 392.46 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbazol-9-ylamino)-4-methylphenyl] benzoate is sourced from PubChem (CID 10069083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).