2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole

C22H17NO — CID 118438756

IUPAC2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole
SMILESCc1cccc(-n2c3ccccc3c3c4cc(C)ccc4oc32)c1
InChIInChI=1S/C22H17NO/c1-14-6-5-7-16(12-14)23-19-9-4-3-8-17(19)21-18-13-15(2)10-11-20(18)24-22(21)23/h3-13H,1-2H3
InChIKeyGXEVVFFFLQVBAF-UHFFFAOYSA-N
MW311.38 g/mol
LogP6.15
Rot. Bonds1

About 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole

2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole (PubChem CID 118438756) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole
PubChem CID118438756
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole
SMILESCc1cccc(-n2c3ccccc3c3c4cc(C)ccc4oc32)c1
InChIInChI=1S/C22H17NO/c1-14-6-5-7-16(12-14)23-19-9-4-3-8-17(19)21-18-13-15(2)10-11-20(18)24-22(21)23/h3-13H,1-2H3
InChIKeyGXEVVFFFLQVBAF-UHFFFAOYSA-N
XLogP6.15
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-dibenzofuran-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501188
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168644
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
9-dibenzofuran-3-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501171
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
5,18-dimethyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 146214385
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 176780559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole?
The IUPAC name of 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole (CID 118438756) is 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole is Cc1cccc(-n2c3ccccc3c3c4cc(C)ccc4oc32)c1.
What is the InChIKey of 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole?
The InChIKey is GXEVVFFFLQVBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-14-6-5-7-16(12-14)23-19-9-4-3-8-17(19)21-18-13-15(2)10-11-20(18)24-22(21)23/h3-13H,1-2H3.
What are the key properties of 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole?
2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole has a molecular weight of 311.38 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylphenyl)-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 118438756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).