ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate

C25H23NO4 — CID 166731435

IUPACethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)c2ccc3c(c2)c2cc(C)ccc2n3CC)cc1
InChIInChI=1S/C25H23NO4/c1-4-26-22-12-6-16(3)14-20(22)21-15-18(9-13-23(21)26)24(27)17-7-10-19(11-8-17)30-25(28)29-5-2/h6-15H,4-5H2,1-3H3
InChIKeyZPHAULRPXRVQTD-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.89
Rot. Bonds5

About ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate

ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate (PubChem CID 166731435) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
PubChem CID166731435
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Nameethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)c2ccc3c(c2)c2cc(C)ccc2n3CC)cc1
InChIInChI=1S/C25H23NO4/c1-4-26-22-12-6-16(3)14-20(22)21-15-18(9-13-23(21)26)24(27)17-7-10-19(11-8-17)30-25(28)29-5-2/h6-15H,4-5H2,1-3H3
InChIKeyZPHAULRPXRVQTD-UHFFFAOYSA-N
XLogP5.89
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate
CID 168727823
(9-ethyl-6-methylcarbazol-3-yl)-phenylmethanone;(9-ethyl-6-methylcarbazol-3-yl)-(2,4,6-trimethylphenyl)methanone;methane
CID 160533610
[4-[9-ethyl-6-[(2E)-2-methoxyiminopropanoyl]carbazole-3-carbonyl]phenyl] acetate
CID 156846403
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
1-benzofuran-2-yl-(9-ethyl-6-methylcarbazol-3-yl)methanone
CID 146311469
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
[4-[9-ethyl-6-[(2E)-2-hydroxyiminoheptanoyl]carbazole-3-carbonyl]phenyl] heptanoate
CID 168727814
1-[6-(4-butoxybenzoyl)-9-ethylcarbazol-3-yl]heptan-1-one
CID 156846255
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
1-[9-ethyl-6-[4-(hydroxymethoxy)benzoyl]carbazol-3-yl]hexan-1-one
CID 166731440
[(Z)-1-[6-(2,4-dimethylbenzoyl)-9-ethylcarbazol-3-yl]ethylideneamino] acetate
CID 91545614
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate?
The IUPAC name of ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate (CID 166731435) is ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate?
The canonical SMILES for ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)c2ccc3c(c2)c2cc(C)ccc2n3CC)cc1.
What is the InChIKey of ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate?
The InChIKey is ZPHAULRPXRVQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-4-26-22-12-6-16(3)14-20(22)21-15-18(9-13-23(21)26)24(27)17-7-10-19(11-8-17)30-25(28)29-5-2/h6-15H,4-5H2,1-3H3.
What are the key properties of ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate?
ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate has a molecular weight of 401.46 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate is sourced from PubChem (CID 166731435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).