3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole

C21H18FNO2 — CID 134948889

IUPAC3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole
SMILESCOc1cc2c(cc1C)c1cc(F)c(OC)cc1n2-c1ccccc1
InChIInChI=1S/C21H18FNO2/c1-13-9-15-16-10-17(22)21(25-3)12-19(16)23(14-7-5-4-6-8-14)18(15)11-20(13)24-2/h4-12H,1-3H3
InChIKeyCKWKRWSROHMZEV-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.25
Rot. Bonds3

About 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole

3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole (PubChem CID 134948889) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole
PubChem CID134948889
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Name3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole
SMILESCOc1cc2c(cc1C)c1cc(F)c(OC)cc1n2-c1ccccc1
InChIInChI=1S/C21H18FNO2/c1-13-9-15-16-10-17(22)21(25-3)12-19(16)23(14-7-5-4-6-8-14)18(15)11-20(13)24-2/h4-12H,1-3H3
InChIKeyCKWKRWSROHMZEV-UHFFFAOYSA-N
XLogP5.25
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mahanimbine
CID 167963
8-methoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole
CID 97487
Girinimbine
CID 96943
Koenidine
CID 278055
3,8-Dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano(3,2-a)carbazol-9-ol
CID 375148
(R)-Mahanine
CID 375151
2-methoxy-3-methyl-9H-carbazole
CID 11052947
Mahanimbicine
CID 4072580
Pyrano[2,3-b]carbazol-8-ol, 2,10-dihydro-2,2,7-trimethyl-
CID 375149
(3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
CID 37888682
Curryangine
CID 375143
Currayanine
CID 375144

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole?
The IUPAC name of 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole (CID 134948889) is 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole?
The canonical SMILES for 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole is COc1cc2c(cc1C)c1cc(F)c(OC)cc1n2-c1ccccc1.
What is the InChIKey of 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole?
The InChIKey is CKWKRWSROHMZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-13-9-15-16-10-17(22)21(25-3)12-19(16)23(14-7-5-4-6-8-14)18(15)11-20(13)24-2/h4-12H,1-3H3.
What are the key properties of 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole?
3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole has a molecular weight of 335.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,7-dimethoxy-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 134948889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).