(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane

C35H41FN2O2 — CID 143174379

IUPAC(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane
SMILESCCC.CCc1ccc2c(c1)c1cc(CO)ccc1n2CC.CCn1c2ccc(F)cc2c2cc(CO)ccc21
InChIInChI=1S/C17H19NO.C15H14FNO.C3H8/c1-3-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18(16)4-2;1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17;1-3-2/h5-10,19H,3-4,11H2,1-2H3;3-8,18H,2,9H2,1H3;3H2,1-2H3
InChIKeyDUNLUYHUAXGJIM-UHFFFAOYSA-N
MW540.72 g/mol
LogP8.73
Rot. Bonds5

About (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane

(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane (PubChem CID 143174379) has the molecular formula C35H41FN2O2 and a molecular weight of 540.72 g/mol. Its IUPAC name is (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane.

Molecular Properties

Compound Name(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane
PubChem CID143174379
Molecular FormulaC35H41FN2O2
Molecular Weight540.72 g/mol
Exact Mass540.32
IUPAC Name(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane
SMILESCCC.CCc1ccc2c(c1)c1cc(CO)ccc1n2CC.CCn1c2ccc(F)cc2c2cc(CO)ccc21
InChIInChI=1S/C17H19NO.C15H14FNO.C3H8/c1-3-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18(16)4-2;1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17;1-3-2/h5-10,19H,3-4,11H2,1-2H3;3-8,18H,2,9H2,1H3;3H2,1-2H3
InChIKeyDUNLUYHUAXGJIM-UHFFFAOYSA-N
XLogP8.73
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.72
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-6,9-diethylcarbazole
CID 143233690
2-chloro-1-ethyl-5-fluoro-3-methylindole
CID 117127777
(9-ethyl-5,6-dimethoxycarbazol-3-yl)methanol
CID 143174374
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-[6-(carboxylatomethyl)-9-ethylcarbazol-3-yl]acetate
CID 7092357
N,N,7,9-tetraethylcarbazol-3-amine
CID 158762574
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
(9-ethylcarbazol-3-yl)methyl-[2-(4-fluorophenyl)ethyl]azanium
CID 2163692
3-(9-ethylcarbazol-3-yl)propan-1-ol
CID 117386651
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
2-(3-fluorocarbazol-9-yl)ethanol
CID 90309942
1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol
CID 123728386

Frequently Asked Questions

What is the IUPAC name of (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane?
The IUPAC name of (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane (CID 143174379) is (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane.
What is the SMILES notation for (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane?
The canonical SMILES for (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane is CCC.CCc1ccc2c(c1)c1cc(CO)ccc1n2CC.CCn1c2ccc(F)cc2c2cc(CO)ccc21.
What is the InChIKey of (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane?
The InChIKey is DUNLUYHUAXGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.C15H14FNO.C3H8/c1-3-12-5-7-16-14(9-12)15-10-13(11-19)6-8-17(15)18(16)4-2;1-2-17-14-5-3-10(9-18)7-12(14)13-8-11(16)4-6-15(13)17;1-3-2/h5-10,19H,3-4,11H2,1-2H3;3-8,18H,2,9H2,1H3;3H2,1-2H3.
What are the key properties of (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane?
(6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane has a molecular weight of 540.72 g/mol, XLogP of 8.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,9-diethylcarbazol-3-yl)methanol;(9-ethyl-6-fluorocarbazol-3-yl)methanol;propane is sourced from PubChem (CID 143174379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).