11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline

C36H24N2O — CID 138661690

IUPAC11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5c4oc4ccccc45)c3cc21
InChIInChI=1S/C36H24N2O/c1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-33-24-14-6-10-18-32(24)39-35(33)34/h3-20H,1-2H3
InChIKeyMHXJVEIHVICQMP-UHFFFAOYSA-N
MW500.60 g/mol
LogP9.54
Rot. Bonds1

About 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline

11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661690) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
PubChem CID138661690
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5c4oc4ccccc45)c3cc21
InChIInChI=1S/C36H24N2O/c1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-33-24-14-6-10-18-32(24)39-35(33)34/h3-20H,1-2H3
InChIKeyMHXJVEIHVICQMP-UHFFFAOYSA-N
XLogP9.54
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130333882
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130327429
12-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;11-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]quinoline;11-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-[1]benzofuro[3,2-b]quinoline;11-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
CID 158211636
7,7-dimethyl-5-[6-(4-phenylquinolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 118491092
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
CID 134351434

Frequently Asked Questions

What is the IUPAC name of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline (CID 138661690) is 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c5ccccc5nc5c4oc4ccccc45)c3cc21.
What is the InChIKey of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline?
The InChIKey is MHXJVEIHVICQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-36(2)27-15-7-3-11-21(27)25-19-26-22-12-5-9-17-30(22)38(31(26)20-28(25)36)34-23-13-4-8-16-29(23)37-33-24-14-6-10-18-32(24)39-35(33)34/h3-20H,1-2H3.
What are the key properties of 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline?
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline has a molecular weight of 500.60 g/mol, XLogP of 9.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).