7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole

C24H25FN2 — CID 70508145

IUPAC7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1CC(C2CC(c3ccccc3)=CCN2)Cc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C24H25FN2/c1-15-11-18(12-21-20-8-7-19(25)14-23(20)27-24(15)21)22-13-17(9-10-26-22)16-5-3-2-4-6-16/h2-9,14-15,18,22,26-27H,10-13H2,1H3
InChIKeyYQCBWSKNHQSWIA-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.42
Rot. Bonds2

About 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole

7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 70508145) has the molecular formula C24H25FN2 and a molecular weight of 360.48 g/mol. Its IUPAC name is 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID70508145
Molecular FormulaC24H25FN2
Molecular Weight360.48 g/mol
Exact Mass360.20
IUPAC Name7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole
SMILESCC1CC(C2CC(c3ccccc3)=CCN2)Cc2c1[nH]c1cc(F)ccc21
InChIInChI=1S/C24H25FN2/c1-15-11-18(12-21-20-8-7-19(25)14-23(20)27-24(15)21)22-13-17(9-10-26-22)16-5-3-2-4-6-16/h2-9,14-15,18,22,26-27H,10-13H2,1H3
InChIKeyYQCBWSKNHQSWIA-UHFFFAOYSA-N
XLogP5.42
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole with MolForge

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Related Compounds

3-[4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-1-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 70508537
1-methyl-3-[4-(4-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,3,4,9-tetrahydro-1H-carbazole
CID 70508919
7-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 84622882
2-(4-fluorophenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
CID 19863518
7-bromo-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 54361326
6-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazol-2-ol;hydrochloride
CID 70432435
6-butyl-3-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
CID 54427989
2-(4-chlorobutyl)-4-phenyl-1,2,3,6-tetrahydropyridine
CID 142648598
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 84626995
(2R)-2,4-bis(4-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 69139327
8-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 22396704
(1S,3R)-6-fluoro-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 124706683

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole (CID 70508145) is 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole is CC1CC(C2CC(c3ccccc3)=CCN2)Cc2c1[nH]c1cc(F)ccc21.
What is the InChIKey of 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is YQCBWSKNHQSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2/c1-15-11-18(12-21-20-8-7-19(25)14-23(20)27-24(15)21)22-13-17(9-10-26-22)16-5-3-2-4-6-16/h2-9,14-15,18,22,26-27H,10-13H2,1H3.
What are the key properties of 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole?
7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 360.48 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 70508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).