9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine

C35H31N2O+ — CID 166052158

IUPAC9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
SMILESCc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5C)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C35H31N2O/c1-22-16-18-26-25-12-10-11-24(33(25)38-34(26)32(22)31-15-8-9-20-36(31)4)23-17-19-30-28(21-23)35(2,3)27-13-6-7-14-29(27)37(30)5/h6-21H,1-5H3/q+1
InChIKeyXBDNQVUJMYZNCY-UHFFFAOYSA-N
MW495.65 g/mol
LogP8.46
Rot. Bonds2

About 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine

9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine (PubChem CID 166052158) has the molecular formula C35H31N2O+ and a molecular weight of 495.65 g/mol. Its IUPAC name is 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine.

Molecular Properties

Compound Name9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
PubChem CID166052158
Molecular FormulaC35H31N2O+
Molecular Weight495.65 g/mol
Exact Mass495.24
IUPAC Name9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine
SMILESCc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5C)cccc32)c1-c1cccc[n+]1C
InChIInChI=1S/C35H31N2O/c1-22-16-18-26-25-12-10-11-24(33(25)38-34(26)32(22)31-15-8-9-20-36(31)4)23-17-19-30-28(21-23)35(2,3)27-13-6-7-14-29(27)37(30)5/h6-21H,1-5H3/q+1
InChIKeyXBDNQVUJMYZNCY-UHFFFAOYSA-N
XLogP8.46
TPSA20.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine with MolForge

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Related Compounds

3-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-9,9,10-trimethylacridine
CID 166051128
1-methyl-2-(3-methyl-6-naphthalen-2-yldibenzofuran-4-yl)pyridin-1-ium
CID 167357317
4-(9,9-dimethylfluoren-2-yl)-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-3-carbonitrile
CID 164849563
2-[6-(4-tert-butyl-5,5,6,6,7,7,8,8-octamethylnaphthalen-2-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051218
2-[6-(4,4-dideuterio-1,1-dimethyl-2,3-dihydro-1-benzogermin-7-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166052140
2-[6-(9,9-dimethylxanthen-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051552
2,9,9,10-tetramethyl-3-(1-methylpyridin-1-ium-2-yl)acridine
CID 140839461
2-[7-fluoro-3-methyl-6-(5,5,10,10-tetramethylbenzo[b][1]benzosilin-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051944
2-(3,8-dimethyl-6-phenyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167357356
1-methyl-2-[3-methyl-6-(6-methyl-2,3-dihydro-1H-inden-4-yl)dibenzofuran-4-yl]pyridin-1-ium
CID 166051543
1-methyl-2-[2-methyl-7,7-di(propan-2-yl)fluoreno[4,3-b][1]benzofuran-1-yl]pyridin-1-ium
CID 155648896
2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 176787862

Frequently Asked Questions

What is the IUPAC name of 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine?
The IUPAC name of 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine (CID 166052158) is 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine.
What is the SMILES notation for 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine?
The canonical SMILES for 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine is Cc1ccc2c(oc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4N5C)cccc32)c1-c1cccc[n+]1C.
What is the InChIKey of 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine?
The InChIKey is XBDNQVUJMYZNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N2O/c1-22-16-18-26-25-12-10-11-24(33(25)38-34(26)32(22)31-15-8-9-20-36(31)4)23-17-19-30-28(21-23)35(2,3)27-13-6-7-14-29(27)37(30)5/h6-21H,1-5H3/q+1.
What are the key properties of 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine?
9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine has a molecular weight of 495.65 g/mol, XLogP of 8.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trimethyl-2-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]acridine is sourced from PubChem (CID 166052158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).