(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone

C25H24INO — CID 135020188

IUPAC(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccccc3I)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C25H24INO/c1-5-27-22-12-10-16(24(28)18-8-6-7-9-21(18)26)14-19(22)20-15-17(25(2,3)4)11-13-23(20)27/h6-15H,5H2,1-4H3
InChIKeyHIBTXAXILBXNBR-UHFFFAOYSA-N
MW481.38 g/mol
LogP6.95
Rot. Bonds3

About (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone

(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone (PubChem CID 135020188) has the molecular formula C25H24INO and a molecular weight of 481.38 g/mol. Its IUPAC name is (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone
PubChem CID135020188
Molecular FormulaC25H24INO
Molecular Weight481.38 g/mol
Exact Mass481.09
IUPAC Name(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone
SMILESCCn1c2ccc(C(=O)c3ccccc3I)cc2c2cc(C(C)(C)C)ccc21
InChIInChI=1S/C25H24INO/c1-5-27-22-12-10-16(24(28)18-8-6-7-9-21(18)26)14-19(22)20-15-17(25(2,3)4)11-13-23(20)27/h6-15H,5H2,1-4H3
InChIKeyHIBTXAXILBXNBR-UHFFFAOYSA-N
XLogP6.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
(6-deuterio-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 175814606
9-ethylcarbazole-3-carboxylic acid
CID 4912869
[(E)-[1-[9-ethyl-6-(2-iodobenzoyl)carbazol-3-yl]-1-oxo-4-phenylsulfanylpentan-2-ylidene]amino] acetate
CID 88578249
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
(2-chlorophenyl)-(5-ethylpyrido[4,3-b]indol-8-yl)methanone
CID 52915289
(6-butyl-9-ethylcarbazol-3-yl)-(2-methylphenyl)methanone
CID 141217378
[(E)-[1-[9-ethyl-6-(2-iodobenzoyl)carbazol-3-yl]-4-(4-methylphenyl)sulfanyl-1-oxobutan-2-ylidene]amino] acetate
CID 143968806
[9-ethyl-6-[(E)-N-hydroxy-C-propylcarbonimidoyl]carbazol-3-yl]-(2-methylphenyl)methanone
CID 155166271
(6-amino-9-ethylcarbazol-3-yl)-phenylmethanone
CID 118892872
1-(6-acetyl-9-ethylcarbazol-3-yl)ethanone
CID 622083

Frequently Asked Questions

What is the IUPAC name of (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone?
The IUPAC name of (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone (CID 135020188) is (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone is CCn1c2ccc(C(=O)c3ccccc3I)cc2c2cc(C(C)(C)C)ccc21.
What is the InChIKey of (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone?
The InChIKey is HIBTXAXILBXNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24INO/c1-5-27-22-12-10-16(24(28)18-8-6-7-9-21(18)26)14-19(22)20-15-17(25(2,3)4)11-13-23(20)27/h6-15H,5H2,1-4H3.
What are the key properties of (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone?
(6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone has a molecular weight of 481.38 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-tert-butyl-9-ethylcarbazol-3-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 135020188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).