9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol

C21H19FN2O — CID 167432956

IUPAC9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccc(F)cc3c3ccc(O)cc32)c1
InChIInChI=1S/C21H19FN2O/c1-21(2,3)13-8-9-23-20(10-13)24-18-7-4-14(22)11-17(18)16-6-5-15(25)12-19(16)24/h4-12,25H,1-3H3
InChIKeyAKPYSJHFMFKYPF-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.32
Rot. Bonds1

About 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol

9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol (PubChem CID 167432956) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
PubChem CID167432956
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccc(F)cc3c3ccc(O)cc32)c1
InChIInChI=1S/C21H19FN2O/c1-21(2,3)13-8-9-23-20(10-13)24-18-7-4-14(22)11-17(18)16-6-5-15(25)12-19(16)24/h4-12,25H,1-3H3
InChIKeyAKPYSJHFMFKYPF-UHFFFAOYSA-N
XLogP5.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.39
LogP ≤ 55.32
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
5'-(4-tert-butyl-2-pyridinyl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-ol
CID 177099177
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]carbazol-2-ol
CID 171608916
9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-4-pyridinyl]oxy]-6-fluorocarbazole
CID 171765707
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
CID 160810731
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619
2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164786555
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
(3-bromo-5-tert-butylphenyl)-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-7-yl]methanol
CID 162465670
6-tert-butyl-2-[3-[3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 159054431

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol (CID 167432956) is 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol is CC(C)(C)c1ccnc(-n2c3ccc(F)cc3c3ccc(O)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol?
The InChIKey is AKPYSJHFMFKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-21(2,3)13-8-9-23-20(10-13)24-18-7-4-14(22)11-17(18)16-6-5-15(25)12-19(16)24/h4-12,25H,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol?
9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol has a molecular weight of 334.39 g/mol, XLogP of 5.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-6-fluorocarbazol-2-ol is sourced from PubChem (CID 167432956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).