2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)

C50H67N5 — CID 159287838

IUPAC2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
SMILESCC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.4C8H7N.5C2H6/c1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;5*1-2/h1-4,9H,5-6H2;4*1-6,9H;5*1-2H3
InChIKeyKZSUCJQUEGIXJW-UHFFFAOYSA-N
MW738.12 g/mol
LogP15.09
Rot. Bonds

About 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)

2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole) (PubChem CID 159287838) has the molecular formula C50H67N5 and a molecular weight of 738.12 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole).

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
PubChem CID159287838
Molecular FormulaC50H67N5
Molecular Weight738.12 g/mol
Exact Mass737.54
IUPAC Name2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
SMILESCC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CNC2
InChIInChI=1S/C8H9N.4C8H7N.5C2H6/c1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;5*1-2/h1-4,9H,5-6H2;4*1-6,9H;5*1-2H3
InChIKeyKZSUCJQUEGIXJW-UHFFFAOYSA-N
XLogP15.09
TPSA75.19 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.12
LogP ≤ 515.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)?
The IUPAC name of 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole) (CID 159287838) is 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole).
What is the SMILES notation for 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)?
The canonical SMILES for 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole) is CC.CC.CC.CC.CC.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)?
The InChIKey is KZSUCJQUEGIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.4C8H7N.5C2H6/c1-2-4-8-6-9-5-7(8)3-1;4*1-2-4-8-7(3-1)5-6-9-8;5*1-2/h1-4,9H,5-6H2;4*1-6,9H;5*1-2H3.
What are the key properties of 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)?
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole) has a molecular weight of 738.12 g/mol, XLogP of 15.09, 0 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole) is sourced from PubChem (CID 159287838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).