4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium

C31H23N2O+ — CID 171459284

IUPAC4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium
SMILESCc1ccccc1-c1c2oc3ccccc3c2c(-n2c3ccccc3c3ccccc32)c[n+]1C
InChIInChI=1S/C31H23N2O/c1-20-11-3-4-12-21(20)30-31-29(24-15-7-10-18-28(24)34-31)27(19-32(30)2)33-25-16-8-5-13-22(25)23-14-6-9-17-26(23)33/h3-19H,1-2H3/q+1
InChIKeyGCZDTLKVCVFPAR-UHFFFAOYSA-N
MW439.54 g/mol
LogP7.48
Rot. Bonds2

About 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium

4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium (PubChem CID 171459284) has the molecular formula C31H23N2O+ and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium.

Molecular Properties

Compound Name4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium
PubChem CID171459284
Molecular FormulaC31H23N2O+
Molecular Weight439.54 g/mol
Exact Mass439.18
IUPAC Name4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium
SMILESCc1ccccc1-c1c2oc3ccccc3c2c(-n2c3ccccc3c3ccccc32)c[n+]1C
InChIInChI=1S/C31H23N2O/c1-20-11-3-4-12-21(20)30-31-29(24-15-7-10-18-28(24)34-31)27(19-32(30)2)33-25-16-8-5-13-22(25)23-14-6-9-17-26(23)33/h3-19H,1-2H3/q+1
InChIKeyGCZDTLKVCVFPAR-UHFFFAOYSA-N
XLogP7.48
TPSA21.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
5-methyl-6-(2-methylphenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 144726077
9-(2-dibenzofuran-1-yl-5-methylphenyl)carbazole
CID 126596660
5-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 171459265
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-1-methylcarbazole
CID 163908645
9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
CID 162091058
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methyldibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole
CID 155158601
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The IUPAC name of 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium (CID 171459284) is 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium.
What is the SMILES notation for 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The canonical SMILES for 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium is Cc1ccccc1-c1c2oc3ccccc3c2c(-n2c3ccccc3c3ccccc32)c[n+]1C.
What is the InChIKey of 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium?
The InChIKey is GCZDTLKVCVFPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N2O/c1-20-11-3-4-12-21(20)30-31-29(24-15-7-10-18-28(24)34-31)27(19-32(30)2)33-25-16-8-5-13-22(25)23-14-6-9-17-26(23)33/h3-19H,1-2H3/q+1.
What are the key properties of 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium?
4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium has a molecular weight of 439.54 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-methyl-1-(2-methylphenyl)-[1]benzofuro[2,3-c]pyridin-2-ium is sourced from PubChem (CID 171459284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).