5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole

C36H41N3O2 — CID 129306179

IUPAC5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole
SMILESCOc1ccc2[nH]c(-c3cc(OCc4ccc5[nH]c(C)c(C(C)C)c5c4)c4[nH]cc(C(C)C)c4c3)c(C(C)C)c2c1
InChIInChI=1S/C36H41N3O2/c1-19(2)29-17-37-36-26(29)14-24(35-34(21(5)6)28-16-25(40-8)10-12-31(28)39-35)15-32(36)41-18-23-9-11-30-27(13-23)33(20(3)4)22(7)38-30/h9-17,19-21,37-39H,18H2,1-8H3
InChIKeyVJPYYIOCIZTWBX-UHFFFAOYSA-N
MW547.74 g/mol
LogP10.06
Rot. Bonds8

About 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole

5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole (PubChem CID 129306179) has the molecular formula C36H41N3O2 and a molecular weight of 547.74 g/mol. Its IUPAC name is 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole
PubChem CID129306179
Molecular FormulaC36H41N3O2
Molecular Weight547.74 g/mol
Exact Mass547.32
IUPAC Name5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole
SMILESCOc1ccc2[nH]c(-c3cc(OCc4ccc5[nH]c(C)c(C(C)C)c5c4)c4[nH]cc(C(C)C)c4c3)c(C(C)C)c2c1
InChIInChI=1S/C36H41N3O2/c1-19(2)29-17-37-36-26(29)14-24(35-34(21(5)6)28-16-25(40-8)10-12-31(28)39-35)15-32(36)41-18-23-9-11-30-27(13-23)33(20(3)4)22(7)38-30/h9-17,19-21,37-39H,18H2,1-8H3
InChIKeyVJPYYIOCIZTWBX-UHFFFAOYSA-N
XLogP10.06
TPSA65.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.74
LogP ≤ 510.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole?
The IUPAC name of 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole (CID 129306179) is 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole.
What is the SMILES notation for 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole?
The canonical SMILES for 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole is COc1ccc2[nH]c(-c3cc(OCc4ccc5[nH]c(C)c(C(C)C)c5c4)c4[nH]cc(C(C)C)c4c3)c(C(C)C)c2c1.
What is the InChIKey of 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole?
The InChIKey is VJPYYIOCIZTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O2/c1-19(2)29-17-37-36-26(29)14-24(35-34(21(5)6)28-16-25(40-8)10-12-31(28)39-35)15-32(36)41-18-23-9-11-30-27(13-23)33(20(3)4)22(7)38-30/h9-17,19-21,37-39H,18H2,1-8H3.
What are the key properties of 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole?
5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole has a molecular weight of 547.74 g/mol, XLogP of 10.06, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-propan-2-yl-1H-indol-2-yl)-7-[(2-methyl-3-propan-2-yl-1H-indol-5-yl)methoxy]-3-propan-2-yl-1H-indole is sourced from PubChem (CID 129306179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).