azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole

C30H42N2O2 — CID 175541381

IUPACazane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole
SMILESCOCCOCc1ccc2c(c1)c(C1CCCCC1)c(-c1ccccc1)n2C1CCCCC1.N
InChIInChI=1S/C30H39NO2.H3N/c1-32-19-20-33-22-23-17-18-28-27(21-23)29(24-11-5-2-6-12-24)30(25-13-7-3-8-14-25)31(28)26-15-9-4-10-16-26;/h3,7-8,13-14,17-18,21,24,26H,2,4-6,9-12,15-16,19-20,22H2,1H3;1H3
InChIKeyXKWGHAOLWOENFZ-UHFFFAOYSA-N
MW462.68 g/mol
LogP8.19
Rot. Bonds8

About azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole

azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole (PubChem CID 175541381) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole.

Molecular Properties

Compound Nameazane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole
PubChem CID175541381
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC Nameazane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole
SMILESCOCCOCc1ccc2c(c1)c(C1CCCCC1)c(-c1ccccc1)n2C1CCCCC1.N
InChIInChI=1S/C30H39NO2.H3N/c1-32-19-20-33-22-23-17-18-28-27(21-23)29(24-11-5-2-6-12-24)30(25-13-7-3-8-14-25)31(28)26-15-9-4-10-16-26;/h3,7-8,13-14,17-18,21,24,26H,2,4-6,9-12,15-16,19-20,22H2,1H3;1H3
InChIKeyXKWGHAOLWOENFZ-UHFFFAOYSA-N
XLogP8.19
TPSA58.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 58.19
H-Bond Donors ≤ 51
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 azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole?
The IUPAC name of azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole (CID 175541381) is azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole.
What is the SMILES notation for azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole?
The canonical SMILES for azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole is COCCOCc1ccc2c(c1)c(C1CCCCC1)c(-c1ccccc1)n2C1CCCCC1.N.
What is the InChIKey of azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole?
The InChIKey is XKWGHAOLWOENFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39NO2.H3N/c1-32-19-20-33-22-23-17-18-28-27(21-23)29(24-11-5-2-6-12-24)30(25-13-7-3-8-14-25)31(28)26-15-9-4-10-16-26;/h3,7-8,13-14,17-18,21,24,26H,2,4-6,9-12,15-16,19-20,22H2,1H3;1H3.
What are the key properties of azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole?
azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole has a molecular weight of 462.68 g/mol, XLogP of 8.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,3-dicyclohexyl-5-(2-methoxyethoxymethyl)-2-phenylindole is sourced from PubChem (CID 175541381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).