3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole

C33H35N3 — CID 101399617

IUPAC3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
SMILESCCCC(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C33H35N3/c1-5-12-23(28-20-34(2)31-16-9-6-13-24(28)31)19-27(29-21-35(3)32-17-10-7-14-25(29)32)30-22-36(4)33-18-11-8-15-26(30)33/h6-11,13-18,20-23,27H,5,12,19H2,1-4H3
InChIKeyGPUHSXNYPYJCCY-UHFFFAOYSA-N
MW473.66 g/mol
LogP8.27
Rot. Bonds7

About 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole

3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole (PubChem CID 101399617) has the molecular formula C33H35N3 and a molecular weight of 473.66 g/mol. Its IUPAC name is 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole.

Molecular Properties

Compound Name3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
PubChem CID101399617
Molecular FormulaC33H35N3
Molecular Weight473.66 g/mol
Exact Mass473.28
IUPAC Name3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
SMILESCCCC(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C33H35N3/c1-5-12-23(28-20-34(2)31-16-9-6-13-24(28)31)19-27(29-21-35(3)32-17-10-7-14-25(29)32)30-22-36(4)33-18-11-8-15-26(30)33/h6-11,13-18,20-23,27H,5,12,19H2,1-4H3
InChIKeyGPUHSXNYPYJCCY-UHFFFAOYSA-N
XLogP8.27
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole?
The IUPAC name of 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole (CID 101399617) is 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole.
What is the SMILES notation for 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole?
The canonical SMILES for 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole is CCCC(CC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole?
The InChIKey is GPUHSXNYPYJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3/c1-5-12-23(28-20-34(2)31-16-9-6-13-24(28)31)19-27(29-21-35(3)32-17-10-7-14-25(29)32)30-22-36(4)33-18-11-8-15-26(30)33/h6-11,13-18,20-23,27H,5,12,19H2,1-4H3.
What are the key properties of 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole?
3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole has a molecular weight of 473.66 g/mol, XLogP of 8.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole is sourced from PubChem (CID 101399617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).