9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol

C22H22N2O — CID 171608916

IUPAC9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
SMILES[2H]C([2H])(c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1)C(C)(C)C
InChIInChI=1S/C22H22N2O/c1-22(2,3)14-15-10-11-23-21(12-15)24-19-7-5-4-6-17(19)18-9-8-16(25)13-20(18)24/h4-13,25H,14H2,1-3H3/i14D2
InChIKeyFBUOVBSOUCDWBN-FNHLFAINSA-N
MW332.44 g/mol
LogP5.47
Rot. Bonds2

About 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol

9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol (PubChem CID 171608916) has the molecular formula C22H22N2O and a molecular weight of 332.44 g/mol. Its IUPAC name is 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol.

Molecular Properties

Compound Name9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
PubChem CID171608916
Molecular FormulaC22H22N2O
Molecular Weight332.44 g/mol
Exact Mass332.19
IUPAC Name9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
SMILES[2H]C([2H])(c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1)C(C)(C)C
InChIInChI=1S/C22H22N2O/c1-22(2,3)14-15-10-11-23-21(12-15)24-19-7-5-4-6-17(19)18-9-8-16(25)13-20(18)24/h4-13,25H,14H2,1-3H3/i14D2
InChIKeyFBUOVBSOUCDWBN-FNHLFAINSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol
CID 139035892
9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
CID 167432956
2-[[2-[3-(3-tert-butylphenyl)-4,5-dideuterio-2H-imidazol-3-ium-2-id-1-yl]-4-pyridinyl]oxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171765295
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-[3-[3-[2,6-bis(3-tert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609998
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-(1,1-dideuterio-2,2-dimethylpropyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609816
2-[[4-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2-pyridinyl]oxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609191
2-[[2-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-6-(1,1-dideuterio-2,2-dimethylpropyl)-4-pyridinyl]oxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609224
5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
CID 177099177
2-[[5-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-2-methyl-3-pyridinyl]oxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609210
9-(3-methyl-2-pyridinyl)carbazol-2-ol
CID 141484021
2-[[4-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-6-tert-butyl-2-pyridinyl]oxy]-9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazole
CID 171609523

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol?
The IUPAC name of 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol (CID 171608916) is 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol.
What is the SMILES notation for 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol?
The canonical SMILES for 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol is [2H]C([2H])(c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1)C(C)(C)C.
What is the InChIKey of 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol?
The InChIKey is FBUOVBSOUCDWBN-FNHLFAINSA-N. The full InChI is InChI=1S/C22H22N2O/c1-22(2,3)14-15-10-11-23-21(12-15)24-19-7-5-4-6-17(19)18-9-8-16(25)13-20(18)24/h4-13,25H,14H2,1-3H3/i14D2.
What are the key properties of 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol?
9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol has a molecular weight of 332.44 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol is sourced from PubChem (CID 171608916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).