9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium

C100H69F7N8O4+4 — CID 161044485

IUPAC9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium
SMILESCc1cc(F)c2c(oc3cc(F)ccc32)c1-n1c2ccccc2c2ccc[n+](C)c21.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)cc(F)c12.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)ccc12.Cc1ccc2c(oc3cc(F)cc(F)c32)c1-n1c2ccccc2c2ccc[n+](C)c21
InChIInChI=1S/3C25H17F2N2O.C25H18FN2O/c1-14-12-19(27)22-18-10-9-15(26)13-21(18)30-24(22)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-9-10-18-22-19(27)12-15(26)13-21(22)30-24(18)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-10-18-22(30-23-12-15(26)11-19(27)24(18)23)13-21(14)29-20-8-4-3-6-16(20)17-7-5-9-28(2)25(17)29;1-15-12-20-18-10-9-16(26)13-23(18)29-24(20)14-22(15)28-21-8-4-3-6-17(21)19-7-5-11-27(2)25(19)28/h3*3-13H,1-2H3;3-14H,1-2H3/q4*+1
InChIKeyFAQHWBYULRGNIZ-UHFFFAOYSA-N
MW1579.69 g/mol
LogP24.24
Rot. Bonds4

About 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium

9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium (PubChem CID 161044485) has the molecular formula C100H69F7N8O4+4 and a molecular weight of 1579.69 g/mol. Its IUPAC name is 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium.

Molecular Properties

Compound Name9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium
PubChem CID161044485
Molecular FormulaC100H69F7N8O4+4
Molecular Weight1579.69 g/mol
Exact Mass1578.53
IUPAC Name9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium
SMILESCc1cc(F)c2c(oc3cc(F)ccc32)c1-n1c2ccccc2c2ccc[n+](C)c21.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)cc(F)c12.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)ccc12.Cc1ccc2c(oc3cc(F)cc(F)c32)c1-n1c2ccccc2c2ccc[n+](C)c21
InChIInChI=1S/3C25H17F2N2O.C25H18FN2O/c1-14-12-19(27)22-18-10-9-15(26)13-21(18)30-24(22)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-9-10-18-22-19(27)12-15(26)13-21(22)30-24(18)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-10-18-22(30-23-12-15(26)11-19(27)24(18)23)13-21(14)29-20-8-4-3-6-16(20)17-7-5-9-28(2)25(17)29;1-15-12-20-18-10-9-16(26)13-23(18)29-24(20)14-22(15)28-21-8-4-3-6-17(21)19-7-5-11-27(2)25(19)28/h3*3-13H,1-2H3;3-14H,1-2H3/q4*+1
InChIKeyFAQHWBYULRGNIZ-UHFFFAOYSA-N
XLogP24.24
TPSA87.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001579.69
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium with MolForge

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Related Compounds

2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium
CID 159104702
1-methyl-9-(2-methylphenyl)pyrido[2,3-b]indol-1-ium
CID 123854128
1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium
CID 153464716
4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium
CID 152818349
2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 153464385
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium
CID 158757857
12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 142489605
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium
CID 147549881
9-(3-iodo-2-methylphenyl)-1-methylpyrido[2,3-b]indol-1-ium
CID 147033622
1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
CID 160915463
5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 159857293
4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium
CID 171459284

Frequently Asked Questions

What is the IUPAC name of 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium?
The IUPAC name of 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium (CID 161044485) is 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium.
What is the SMILES notation for 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium?
The canonical SMILES for 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium is Cc1cc(F)c2c(oc3cc(F)ccc32)c1-n1c2ccccc2c2ccc[n+](C)c21.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)cc(F)c12.Cc1cc2c(cc1-n1c3ccccc3c3ccc[n+](C)c31)oc1cc(F)ccc12.Cc1ccc2c(oc3cc(F)cc(F)c32)c1-n1c2ccccc2c2ccc[n+](C)c21.
What is the InChIKey of 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium?
The InChIKey is FAQHWBYULRGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H17F2N2O.C25H18FN2O/c1-14-12-19(27)22-18-10-9-15(26)13-21(18)30-24(22)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-9-10-18-22-19(27)12-15(26)13-21(22)30-24(18)23(14)29-20-8-4-3-6-16(20)17-7-5-11-28(2)25(17)29;1-14-10-18-22(30-23-12-15(26)11-19(27)24(18)23)13-21(14)29-20-8-4-3-6-16(20)17-7-5-9-28(2)25(17)29;1-15-12-20-18-10-9-16(26)13-23(18)29-24(20)14-22(15)28-21-8-4-3-6-17(21)19-7-5-11-27(2)25(19)28/h3*3-13H,1-2H3;3-14H,1-2H3/q4*+1.
What are the key properties of 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium?
9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium has a molecular weight of 1579.69 g/mol, XLogP of 24.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium is sourced from PubChem (CID 161044485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).