dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium

C27H35Cl2N2O+ — CID 2274367

IUPACdicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
SMILESO[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H34Cl2N2O/c28-19-11-13-26-24(15-19)25-16-20(29)12-14-27(25)31(26)18-23(32)17-30(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h11-16,21-23,32H,1-10,17-18H2/p+1/t23-/m1/s1
InChIKeySONAJUSNYFELMA-HSZRJFAPSA-O
MW474.50 g/mol
LogP6.01
Rot. Bonds6

About dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium

dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium (PubChem CID 2274367) has the molecular formula C27H35Cl2N2O+ and a molecular weight of 474.50 g/mol. Its IUPAC name is dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namedicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
PubChem CID2274367
Molecular FormulaC27H35Cl2N2O+
Molecular Weight474.50 g/mol
Exact Mass473.21
IUPAC Namedicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
SMILESO[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H34Cl2N2O/c28-19-11-13-26-24(15-19)25-16-20(29)12-14-27(25)31(26)18-23(32)17-30(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h11-16,21-23,32H,1-10,17-18H2/p+1/t23-/m1/s1
InChIKeySONAJUSNYFELMA-HSZRJFAPSA-O
XLogP6.01
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-[(1R,2S)-2-hydroxycyclohexyl]azanium
CID 11945195
[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-dipropylazanium
CID 7177141
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7371788
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
CID 35726321
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The IUPAC name of dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium (CID 2274367) is dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium.
What is the SMILES notation for dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The canonical SMILES for dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium is O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+](C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
The InChIKey is SONAJUSNYFELMA-HSZRJFAPSA-O. The full InChI is InChI=1S/C27H34Cl2N2O/c28-19-11-13-26-24(15-19)25-16-20(29)12-14-27(25)31(26)18-23(32)17-30(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h11-16,21-23,32H,1-10,17-18H2/p+1/t23-/m1/s1.
What are the key properties of dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium?
dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium has a molecular weight of 474.50 g/mol, XLogP of 6.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium is sourced from PubChem (CID 2274367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).