1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole

C29H24N2O — CID 23471143

IUPAC1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1ccc2c(c1)Oc1cc(N3CCc4ccccc43)ccc1C2
InChIInChI=1S/C29H24N2O/c1-3-7-26-20(5-1)13-15-30(26)24-11-9-22-17-23-10-12-25(19-29(23)32-28(22)18-24)31-16-14-21-6-2-4-8-27(21)31/h1-12,18-19H,13-17H2
InChIKeyQDSWCTDGUBPSRS-UHFFFAOYSA-N
MW416.52 g/mol
LogP6.77
Rot. Bonds2

About 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole

1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole (PubChem CID 23471143) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole
PubChem CID23471143
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole
SMILESc1ccc2c(c1)CCN2c1ccc2c(c1)Oc1cc(N3CCc4ccccc43)ccc1C2
InChIInChI=1S/C29H24N2O/c1-3-7-26-20(5-1)13-15-30(26)24-11-9-22-17-23-10-12-25(19-29(23)32-28(22)18-24)31-16-14-21-6-2-4-8-27(21)31/h1-12,18-19H,13-17H2
InChIKeyQDSWCTDGUBPSRS-UHFFFAOYSA-N
XLogP6.77
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole?
The IUPAC name of 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole (CID 23471143) is 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole?
The canonical SMILES for 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole is c1ccc2c(c1)CCN2c1ccc2c(c1)Oc1cc(N3CCc4ccccc43)ccc1C2.
What is the InChIKey of 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole?
The InChIKey is QDSWCTDGUBPSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c1-3-7-26-20(5-1)13-15-30(26)24-11-9-22-17-23-10-12-25(19-29(23)32-28(22)18-24)31-16-14-21-6-2-4-8-27(21)31/h1-12,18-19H,13-17H2.
What are the key properties of 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole?
1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole has a molecular weight of 416.52 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydroindol-1-yl)-9H-xanthen-3-yl]-2,3-dihydroindole is sourced from PubChem (CID 23471143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).