3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole

C35H36N2O2 — CID 141138365

IUPAC3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole
SMILESc1ccc(COCCn2c(-c3cccnc3OCc3ccccc3)c(C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C35H36N2O2/c1-4-13-27(14-5-1)25-38-24-23-37-32-21-11-10-19-30(32)33(29-17-8-3-9-18-29)34(37)31-20-12-22-36-35(31)39-26-28-15-6-2-7-16-28/h1-2,4-7,10-16,19-22,29H,3,8-9,17-18,23-26H2
InChIKeyUBJWHZKTZGZULQ-UHFFFAOYSA-N
MW516.69 g/mol
LogP8.55
Rot. Bonds10

About 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole

3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole (PubChem CID 141138365) has the molecular formula C35H36N2O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole
PubChem CID141138365
Molecular FormulaC35H36N2O2
Molecular Weight516.69 g/mol
Exact Mass516.28
IUPAC Name3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole
SMILESc1ccc(COCCn2c(-c3cccnc3OCc3ccccc3)c(C3CCCCC3)c3ccccc32)cc1
InChIInChI=1S/C35H36N2O2/c1-4-13-27(14-5-1)25-38-24-23-37-32-21-11-10-19-30(32)33(29-17-8-3-9-18-29)34(37)31-20-12-22-36-35(31)39-26-28-15-6-2-7-16-28/h1-2,4-7,10-16,19-22,29H,3,8-9,17-18,23-26H2
InChIKeyUBJWHZKTZGZULQ-UHFFFAOYSA-N
XLogP8.55
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole?
The IUPAC name of 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole (CID 141138365) is 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole.
What is the SMILES notation for 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole?
The canonical SMILES for 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole is c1ccc(COCCn2c(-c3cccnc3OCc3ccccc3)c(C3CCCCC3)c3ccccc32)cc1.
What is the InChIKey of 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole?
The InChIKey is UBJWHZKTZGZULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O2/c1-4-13-27(14-5-1)25-38-24-23-37-32-21-11-10-19-30(32)33(29-17-8-3-9-18-29)34(37)31-20-12-22-36-35(31)39-26-28-15-6-2-7-16-28/h1-2,4-7,10-16,19-22,29H,3,8-9,17-18,23-26H2.
What are the key properties of 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole?
3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole has a molecular weight of 516.69 g/mol, XLogP of 8.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-phenylmethoxyethyl)-2-(2-phenylmethoxy-3-pyridinyl)indole is sourced from PubChem (CID 141138365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).