1,6-bis(4-propan-2-yloxyphenyl)indole

C26H27NO2 — CID 134179284

IUPAC1,6-bis(4-propan-2-yloxyphenyl)indole
SMILESCC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C26H27NO2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4/h5-19H,1-4H3
InChIKeyYNJMEMFHKOOQNV-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.87
Rot. Bonds6

About 1,6-bis(4-propan-2-yloxyphenyl)indole

1,6-bis(4-propan-2-yloxyphenyl)indole (PubChem CID 134179284) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)indole.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)indole
PubChem CID134179284
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)indole
SMILESCC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C26H27NO2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4/h5-19H,1-4H3
InChIKeyYNJMEMFHKOOQNV-UHFFFAOYSA-N
XLogP6.87
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indole?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indole (CID 134179284) is 1,6-bis(4-propan-2-yloxyphenyl)indole.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)indole?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)indole is CC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)indole?
The InChIKey is YNJMEMFHKOOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-18(2)28-24-11-7-20(8-12-24)22-6-5-21-15-16-27(26(21)17-22)23-9-13-25(14-10-23)29-19(3)4/h5-19H,1-4H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)indole?
1,6-bis(4-propan-2-yloxyphenyl)indole has a molecular weight of 385.51 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)indole is sourced from PubChem (CID 134179284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).