1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium

C30H30N+ — CID 157464896

IUPAC1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium
SMILESCc1c[n+](C)c(-c2cc(-c3ccccc3)c3c(c2C)Cc2ccccc2-3)cc1C(C)C
InChIInChI=1S/C30H30N/c1-19(2)25-17-29(31(5)18-20(25)3)26-16-28(22-11-7-6-8-12-22)30-24-14-10-9-13-23(24)15-27(30)21(26)4/h6-14,16-19H,15H2,1-5H3/q+1
InChIKeyGORDFFRSOBOXTD-UHFFFAOYSA-N
MW404.58 g/mol
LogP7.16
Rot. Bonds3

About 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium

1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium (PubChem CID 157464896) has the molecular formula C30H30N+ and a molecular weight of 404.58 g/mol. Its IUPAC name is 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium
PubChem CID157464896
Molecular FormulaC30H30N+
Molecular Weight404.58 g/mol
Exact Mass404.24
IUPAC Name1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium
SMILESCc1c[n+](C)c(-c2cc(-c3ccccc3)c3c(c2C)Cc2ccccc2-3)cc1C(C)C
InChIInChI=1S/C30H30N/c1-19(2)25-17-29(31(5)18-20(25)3)26-16-28(22-11-7-6-8-12-22)30-24-14-10-9-13-23(24)15-27(30)21(26)4/h6-14,16-19H,15H2,1-5H3/q+1
InChIKeyGORDFFRSOBOXTD-UHFFFAOYSA-N
XLogP7.16
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.58
LogP ≤ 57.16
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

2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 140920618
1,5-dimethyl-2-(2-methyl-3-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaenyl)-4-propan-2-ylpyridin-1-ium
CID 158257907
2-(2,4-dimethyl-5-phenylphenyl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 140920683
1,4,5-trimethyl-2-(1-methyl-9H-fluoren-2-yl)pyridin-1-ium
CID 162171780
2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethyl-4-(2-methylpropyl)pyridin-1-ium
CID 140920623
(1,2-dimethyl-9H-fluoren-4-yl)boronic acid
CID 142743472
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
4-(1,1-dideuterio-2,2-dimethylpropyl)-1-methyl-2-(6-methyl-7,12-dihydroindeno[1,2-a]fluoren-5-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 161281316
2-(2,8-dimethyl-9H-fluoren-1-yl)-1-methyl-4,5-di(propan-2-yl)pyridin-1-ium
CID 158111506
1-methyl-2-[2-methyl-4-(trideuteriomethyl)-3-[2-(trideuteriomethyl)phenyl]phenyl]-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium
CID 140920522
4-tert-butyl-2-(2,4-dimethyl-5-phenylphenyl)-1,5-dimethylpyridin-1-ium
CID 155629307
2-(2,4-dimethyl-5-phenylphenyl)-1-methyl-4,5-bis(2-methylpropyl)pyridin-1-ium
CID 153461114

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium?
The IUPAC name of 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium (CID 157464896) is 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium.
What is the SMILES notation for 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium?
The canonical SMILES for 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium is Cc1c[n+](C)c(-c2cc(-c3ccccc3)c3c(c2C)Cc2ccccc2-3)cc1C(C)C.
What is the InChIKey of 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium?
The InChIKey is GORDFFRSOBOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N/c1-19(2)25-17-29(31(5)18-20(25)3)26-16-28(22-11-7-6-8-12-22)30-24-14-10-9-13-23(24)15-27(30)21(26)4/h6-14,16-19H,15H2,1-5H3/q+1.
What are the key properties of 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium?
1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium has a molecular weight of 404.58 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(1-methyl-4-phenyl-9H-fluoren-2-yl)-4-propan-2-ylpyridin-1-ium is sourced from PubChem (CID 157464896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).