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

C30H31NO5 — CID 168727823

IUPACethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate
SMILESCCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(OC(=O)OCC)cc3)ccc1n2CC
InChIInChI=1S/C30H31NO5/c1-4-7-8-9-28(32)21-12-16-26-24(18-21)25-19-22(13-17-27(25)31(26)5-2)29(33)20-10-14-23(15-11-20)36-30(34)35-6-3/h10-19H,4-9H2,1-3H3
InChIKeyNZWPXOOBKSHNKG-UHFFFAOYSA-N
MW485.58 g/mol
LogP7.34
Rot. Bonds10

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

ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate (PubChem CID 168727823) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate
PubChem CID168727823
Molecular FormulaC30H31NO5
Molecular Weight485.58 g/mol
Exact Mass485.22
IUPAC Nameethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate
SMILESCCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(OC(=O)OCC)cc3)ccc1n2CC
InChIInChI=1S/C30H31NO5/c1-4-7-8-9-28(32)21-12-16-26-24(18-21)25-19-22(13-17-27(25)31(26)5-2)29(33)20-10-14-23(15-11-20)36-30(34)35-6-3/h10-19H,4-9H2,1-3H3
InChIKeyNZWPXOOBKSHNKG-UHFFFAOYSA-N
XLogP7.34
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-(9-ethyl-6-methylcarbazole-3-carbonyl)phenyl] carbonate
CID 166731435
1-[6-(4-butoxybenzoyl)-9-ethylcarbazol-3-yl]heptan-1-one
CID 156846255
1-[9-ethyl-6-[4-(hydroxymethoxy)benzoyl]carbazol-3-yl]hexan-1-one
CID 166731440
[4-[9-ethyl-6-[(2E)-2-hydroxyiminoheptanoyl]carbazole-3-carbonyl]phenyl] heptanoate
CID 168727814
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846362
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[1-(6-benzoyl-9-ethylcarbazol-3-yl)decylideneamino] acetate
CID 123957224
[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
[4-[6-[(2E)-2-acetyloxyiminooctanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] thiophene-2-carboxylate
CID 156846309
ethyl [4-(2-iodoacetyl)phenyl] carbonate
CID 89348035
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate?
The IUPAC name of ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate (CID 168727823) is ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate.
What is the SMILES notation for ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate?
The canonical SMILES for ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate is CCCCCC(=O)c1ccc2c(c1)c1cc(C(=O)c3ccc(OC(=O)OCC)cc3)ccc1n2CC.
What is the InChIKey of ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate?
The InChIKey is NZWPXOOBKSHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5/c1-4-7-8-9-28(32)21-12-16-26-24(18-21)25-19-22(13-17-27(25)31(26)5-2)29(33)20-10-14-23(15-11-20)36-30(34)35-6-3/h10-19H,4-9H2,1-3H3.
What are the key properties of ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate?
ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate has a molecular weight of 485.58 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(9-ethyl-6-hexanoylcarbazole-3-carbonyl)phenyl] carbonate is sourced from PubChem (CID 168727823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).