1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole

C27H34N2O2 — CID 101473810

IUPAC1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole
SMILESCOC(C)(C)n1cc(C(C)(C)c2cn(C(C)(C)OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H34N2O2/c1-25(2,21-17-28(26(3,4)30-7)23-15-11-9-13-19(21)23)22-18-29(27(5,6)31-8)24-16-12-10-14-20(22)24/h9-18H,1-8H3
InChIKeyCQDCQLLPYNVXRF-UHFFFAOYSA-N
MW418.58 g/mol
LogP6.60
Rot. Bonds6

About 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole

1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole (PubChem CID 101473810) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole
PubChem CID101473810
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Name1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole
SMILESCOC(C)(C)n1cc(C(C)(C)c2cn(C(C)(C)OC)c3ccccc23)c2ccccc21
InChIInChI=1S/C27H34N2O2/c1-25(2,21-17-28(26(3,4)30-7)23-15-11-9-13-19(21)23)22-18-29(27(5,6)31-8)24-16-12-10-14-20(22)24/h9-18H,1-8H3
InChIKeyCQDCQLLPYNVXRF-UHFFFAOYSA-N
XLogP6.60
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole?
The IUPAC name of 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole (CID 101473810) is 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole.
What is the SMILES notation for 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole?
The canonical SMILES for 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole is COC(C)(C)n1cc(C(C)(C)c2cn(C(C)(C)OC)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole?
The InChIKey is CQDCQLLPYNVXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2/c1-25(2,21-17-28(26(3,4)30-7)23-15-11-9-13-19(21)23)22-18-29(27(5,6)31-8)24-16-12-10-14-20(22)24/h9-18H,1-8H3.
What are the key properties of 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole?
1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole has a molecular weight of 418.58 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropan-2-yl)-3-[2-[1-(2-methoxypropan-2-yl)indol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 101473810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).