2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole

C19H20N3+ — CID 158734463

IUPAC2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole
SMILESCc1cc2c3ccccc3n(C)c2cc1-c1c[n+](C)cn1C
InChIInChI=1S/C19H20N3/c1-13-9-16-14-7-5-6-8-17(14)22(4)18(16)10-15(13)19-11-20(2)12-21(19)3/h5-12H,1-4H3/q+1
InChIKeyULVRAHNXVSPPGA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.47
Rot. Bonds1

About 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole

2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole (PubChem CID 158734463) has the molecular formula C19H20N3+ and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole.

Molecular Properties

Compound Name2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole
PubChem CID158734463
Molecular FormulaC19H20N3+
Molecular Weight290.39 g/mol
Exact Mass290.17
IUPAC Name2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole
SMILESCc1cc2c3ccccc3n(C)c2cc1-c1c[n+](C)cn1C
InChIInChI=1S/C19H20N3/c1-13-9-16-14-7-5-6-8-17(14)22(4)18(16)10-15(13)19-11-20(2)12-21(19)3/h5-12H,1-4H3/q+1
InChIKeyULVRAHNXVSPPGA-UHFFFAOYSA-N
XLogP3.47
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
CID 145449640
ethane;bis(9-methylcarbazole)
CID 159710949
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
ethane;9-methylcarbazole;triphenylene
CID 142356751
5,11-dimethylbenzo[a]carbazole
CID 58410472
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
2,3,4-trimethylpyrrolo[3,4-b]indole
CID 157487086
7-methyl-[1]benzoselenolo[2,3-b]carbazole
CID 158696762
1,3-dimethyl-2-(2-methylnaphtho[2,3-b][1]benzofuran-3-yl)benzimidazol-3-ium
CID 176787861
9-methyl-2-[2-[4-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]ethynyl]carbazole
CID 58435122
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole?
The IUPAC name of 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole (CID 158734463) is 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole.
What is the SMILES notation for 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole?
The canonical SMILES for 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole is Cc1cc2c3ccccc3n(C)c2cc1-c1c[n+](C)cn1C.
What is the InChIKey of 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole?
The InChIKey is ULVRAHNXVSPPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N3/c1-13-9-16-14-7-5-6-8-17(14)22(4)18(16)10-15(13)19-11-20(2)12-21(19)3/h5-12H,1-4H3/q+1.
What are the key properties of 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole?
2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole has a molecular weight of 290.39 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylimidazol-1-ium-4-yl)-3,9-dimethylcarbazole is sourced from PubChem (CID 158734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).