3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline

C26H19NO — CID 168815665

IUPAC3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
SMILESCC1(C)c2cccc(-c3cc4ccccc4cn3)c2-c2oc3ccccc3c21
InChIInChI=1S/C26H19NO/c1-26(2)20-12-7-11-18(21-14-16-8-3-4-9-17(16)15-27-21)23(20)25-24(26)19-10-5-6-13-22(19)28-25/h3-15H,1-2H3
InChIKeyJOQXFFRLOHTKAC-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.95
Rot. Bonds1

About 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline

3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline (PubChem CID 168815665) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline.

Molecular Properties

Compound Name3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
PubChem CID168815665
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline
SMILESCC1(C)c2cccc(-c3cc4ccccc4cn3)c2-c2oc3ccccc3c21
InChIInChI=1S/C26H19NO/c1-26(2)20-12-7-11-18(21-14-16-8-3-4-9-17(16)15-27-21)23(20)25-24(26)19-10-5-6-13-22(19)28-25/h3-15H,1-2H3
InChIKeyJOQXFFRLOHTKAC-UHFFFAOYSA-N
XLogP6.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,6,11,11-tetramethylnaphtho[2,3-b][1]benzofuran-4-yl)isoquinoline
CID 167317379
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156550278
3-isoquinolin-3-yl-2-phenylchromen-4-one
CID 175381344
10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856891
10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-7-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134237811
4-(4-dibenzofuran-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794760
3-[6-(2,6-ditert-butylpyrimidin-4-yl)dibenzofuran-4-yl]isoquinoline
CID 176787855
5-isoquinolin-3-yl-11-methyl-19-azaoctacyclo[16.11.1.12,6.011,30.012,17.020,29.023,28.010,31]hentriaconta-1(30),2(31),3,5,7,9,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 139567453
4-[10-(11,11-dimethylbenzo[h]fluoren-1-yl)anthracen-9-yl]dibenzofuran
CID 121421222
10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline?
The IUPAC name of 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline (CID 168815665) is 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline.
What is the SMILES notation for 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline?
The canonical SMILES for 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline is CC1(C)c2cccc(-c3cc4ccccc4cn3)c2-c2oc3ccccc3c21.
What is the InChIKey of 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline?
The InChIKey is JOQXFFRLOHTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO/c1-26(2)20-12-7-11-18(21-14-16-8-3-4-9-17(16)15-27-21)23(20)25-24(26)19-10-5-6-13-22(19)28-25/h3-15H,1-2H3.
What are the key properties of 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline?
3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline has a molecular weight of 361.44 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)isoquinoline is sourced from PubChem (CID 168815665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).