1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol

C23H22I2N2O — CID 3119522

IUPAC1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)cc1C
InChIInChI=1S/C23H22I2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3
InChIKeyITKORQCOKKTEQF-UHFFFAOYSA-N
MW596.25 g/mol
LogP6.09
Rot. Bonds5

About 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol

1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol (PubChem CID 3119522) has the molecular formula C23H22I2N2O and a molecular weight of 596.25 g/mol. Its IUPAC name is 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
PubChem CID3119522
Molecular FormulaC23H22I2N2O
Molecular Weight596.25 g/mol
Exact Mass595.98
IUPAC Name1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
SMILESCc1ccc(NCC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)cc1C
InChIInChI=1S/C23H22I2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3
InChIKeyITKORQCOKKTEQF-UHFFFAOYSA-N
XLogP6.09
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.25
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol
CID 989022
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-propan-2-ylanilino)propan-2-ol
CID 51861099
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-(4-methoxyanilino)propan-2-ol
CID 981469
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
1-N-(3,4-dimethylphenyl)butane-1,2-diamine
CID 83961425
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
1-[3,6-bis(2-diiodophosphanylsulfanylethynyl)carbazol-9-yl]-3-(3-methoxyanilino)propan-2-ol
CID 134486044

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The IUPAC name of 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol (CID 3119522) is 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol.
What is the SMILES notation for 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The canonical SMILES for 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol is Cc1ccc(NCC(O)Cn2c3ccc(I)cc3c3cc(I)ccc32)cc1C.
What is the InChIKey of 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
The InChIKey is ITKORQCOKKTEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22I2N2O/c1-14-3-6-18(9-15(14)2)26-12-19(28)13-27-22-7-4-16(24)10-20(22)21-11-17(25)5-8-23(21)27/h3-11,19,26,28H,12-13H2,1-2H3.
What are the key properties of 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol?
1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol has a molecular weight of 596.25 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diiodocarbazol-9-yl)-3-(3,4-dimethylanilino)propan-2-ol is sourced from PubChem (CID 3119522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).