5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

C75H94N8O — CID 159476890

IUPAC5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12
InChIInChI=1S/C11H15N.C11H13N.C11H15N.C11H13N.C11H12O.C10H14N2.C10H12N2/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3;3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyLWMLEAVNKREUHF-UHFFFAOYSA-N
MW1123.63 g/mol
LogP20.55
Rot. Bonds7

About 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine

5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 159476890) has the molecular formula C75H94N8O and a molecular weight of 1123.63 g/mol. Its IUPAC name is 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID159476890
Molecular FormulaC75H94N8O
Molecular Weight1123.63 g/mol
Exact Mass1122.76
IUPAC Name5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12
InChIInChI=1S/C11H15N.C11H13N.C11H15N.C11H13N.C11H12O.C10H14N2.C10H12N2/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3;3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3
InChIKeyLWMLEAVNKREUHF-UHFFFAOYSA-N
XLogP20.55
TPSA122.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.63
LogP ≤ 520.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine with MolForge

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Related Compounds

4-[3,4-bis[4-(5-fluoro-1-benzofuran-3-yl)butyl]-1-(1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole
CID 54268693
4-[4-[3-(5-fluoro-1-benzofuran-3-yl)propyl]-1-(1H-indol-4-yl)-4-[2-(4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1,4-diium-1-yl]-1H-indole
CID 57253980
5-[6-(1-benzofuran-5-yl)-3-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)phenyl]-1H-indole
CID 141147368
2-[(Z)-2-fluoroethenyl]-1-phenyl-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]indol-3-amine
CID 144491267
N-[[3-[4-(6-fluoro-1-benzofuran-7-yl)-1H-pyrrol-3-yl]-1-pyridin-4-ylindol-7-yl]methyl]-1-phenylmethanamine
CID 174465378
4-[4-[2-(5-methyl-1-benzofuran-3-yl)ethyl]piperazin-1-yl]-1H-indole
CID 22462281
4-[3,4-bis(1-benzofuran-3-ylmethyl)-1-(1H-indol-4-yl)piperazin-1-ium-1-yl]-1H-indole
CID 54189922
4-[4-[3-(7-methyl-1-benzofuran-3-yl)propyl]piperazin-1-yl]-1H-indole
CID 57120426
6-(3-(furan-2-yl)phenyl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57334438
9-[3-[3-[3-(8-Carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544048
8-[3-(3-Dibenzofuran-2-ylphenyl)-5-pyrido[3,2-b]indol-5-ylphenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544140
9-[3-(4-Dibenzofuran-2-ylphenyl)-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 57544143

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine (CID 159476890) is 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CCN2.CC(C)c1ccc2occc2c1.CC(C)c1cccc2c1NCC2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccnc2c1NCC2.CC(C)c1ccnc2cc[nH]c12.
What is the InChIKey of 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is LWMLEAVNKREUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C11H13N.C11H15N.C11H13N.C11H12O.C10H14N2.C10H12N2/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-7(2)8-3-5-11-9-4-6-12-10(8)9/h3-4,7-8,12H,5-6H2,1-2H3;3-8,12H,1-2H3;3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;3-8H,1-2H3;3,5,7,12H,4,6H2,1-2H3;3-7,12H,1-2H3.
What are the key properties of 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine?
5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 1123.63 g/mol, XLogP of 20.55, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-indole;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 159476890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).