1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium

C25H28N+ — CID 162062988

IUPAC1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1
InChIKeyYWCVSDZUBFKSPI-UHFFFAOYSA-N
MW342.51 g/mol
LogP5.92
Rot. Bonds2

About 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium

1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium (PubChem CID 162062988) has the molecular formula C25H28N+ and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
PubChem CID162062988
Molecular FormulaC25H28N+
Molecular Weight342.51 g/mol
Exact Mass342.22
IUPAC Name1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C
InChIInChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1
InChIKeyYWCVSDZUBFKSPI-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium (CID 162062988) is 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)-c1cccc(C(C)C)c1C2(C)C.
What is the InChIKey of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
The InChIKey is YWCVSDZUBFKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N/c1-16(2)18-10-9-11-19-21-15-20(23-12-7-8-13-26(23)6)17(3)14-22(21)25(4,5)24(18)19/h7-16H,1-6H3/q+1.
What are the key properties of 1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium?
1-methyl-2-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-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-(2,9,9-trimethyl-8-propan-2-ylfluoren-3-yl)pyridin-1-ium is sourced from PubChem (CID 162062988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).