1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium

C25H28N+ — CID 157243436

IUPAC1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccc(C(C)C)cc1-2
InChIInChI=1S/C25H28N/c1-16(2)18-10-11-22-21(14-18)20-13-17(3)19(15-23(20)25(22,4)5)24-9-7-8-12-26(24)6/h7-16H,1-6H3/q+1
InChIKeyMKVHRXKKCDKDPQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.92
Rot. Bonds2

About 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium

1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium (PubChem CID 157243436) has the molecular formula C25H28N+ and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
PubChem CID157243436
Molecular FormulaC25H28N+
Molecular Weight342.51 g/mol
Exact Mass342.22
IUPAC Name1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccc(C(C)C)cc1-2
InChIInChI=1S/C25H28N/c1-16(2)18-10-11-22-21(14-18)20-13-17(3)19(15-23(20)25(22,4)5)24-9-7-8-12-26(24)6/h7-16H,1-6H3/q+1
InChIKeyMKVHRXKKCDKDPQ-UHFFFAOYSA-N
XLogP5.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
CID 162062988
2-[7-(2-deuteriopropan-2-yl)-3,9,9-trimethylfluoren-4-yl]-1-methylpyridin-1-ium
CID 157123369
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
1-methyl-2-(3,9,9-trimethyl-1-propan-2-ylfluoren-4-yl)pyridin-1-ium
CID 160596176
3-deuterio-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium;3,4,5-trideuterio-1,2-dimethyl-6-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 161226783
1-methyl-4-propan-2-yl-2-(3,11,11-trimethylfluoreno[3,2-b][1]benzofuran-4-yl)pyridin-1-ium
CID 155648800
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
2-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-methylphenyl]-1-methylpyridin-1-ium
CID 158988048
9,9-dimethyl-1,6-di(propan-2-yl)fluorene
CID 158076847
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium (CID 157243436) is 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C(C)(C)c1ccc(C(C)C)cc1-2.
What is the InChIKey of 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium?
The InChIKey is MKVHRXKKCDKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N/c1-16(2)18-10-11-22-21(14-18)20-13-17(3)19(15-23(20)25(22,4)5)24-9-7-8-12-26(24)6/h7-16H,1-6H3/q+1.
What are the key properties of 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium?
1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium has a molecular weight of 342.51 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,9,9-trimethyl-6-propan-2-ylfluoren-2-yl)pyridin-1-ium is sourced from PubChem (CID 157243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).