methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane

C73H89N3O2S2Si2 — CID 158602265

IUPACmethane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane
SMILESC.C.COc1ccc(-c2c3c(c(-c4cccs4)c4c2ccc2c4ccn2[Si](C(C)C)(C(C)C)C(C)C)CCCC3)cc1.COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C36H43NOSSi.C35H38N2OSSi.2CH4/c1-23(2)40(24(3)4,25(5)6)37-21-20-30-32(37)19-18-31-34(26-14-16-27(38-7)17-15-26)28-11-8-9-12-29(28)36(35(30)31)33-13-10-22-39-33;1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32;;/h10,13-25H,8-9,11-12H2,1-7H3;8-24H,1-7H3;2*1H4
InChIKeyHVUAGTUZCYBDJA-UHFFFAOYSA-N
MW1160.84 g/mol
LogP23.14
Rot. Bonds14

About methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane

methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane (PubChem CID 158602265) has the molecular formula C73H89N3O2S2Si2 and a molecular weight of 1160.84 g/mol. Its IUPAC name is methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Namemethane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane
PubChem CID158602265
Molecular FormulaC73H89N3O2S2Si2
Molecular Weight1160.84 g/mol
Exact Mass1159.59
IUPAC Namemethane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane
SMILESC.C.COc1ccc(-c2c3c(c(-c4cccs4)c4c2ccc2c4ccn2[Si](C(C)C)(C(C)C)C(C)C)CCCC3)cc1.COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C36H43NOSSi.C35H38N2OSSi.2CH4/c1-23(2)40(24(3)4,25(5)6)37-21-20-30-32(37)19-18-31-34(26-14-16-27(38-7)17-15-26)28-11-8-9-12-29(28)36(35(30)31)33-13-10-22-39-33;1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32;;/h10,13-25H,8-9,11-12H2,1-7H3;8-24H,1-7H3;2*1H4
InChIKeyHVUAGTUZCYBDJA-UHFFFAOYSA-N
XLogP23.14
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms82
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001160.84
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane?
The IUPAC name of methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane (CID 158602265) is methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane?
The canonical SMILES for methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane is C.C.COc1ccc(-c2c3c(c(-c4cccs4)c4c2ccc2c4ccn2[Si](C(C)C)(C(C)C)C(C)C)CCCC3)cc1.COc1ccc(-c2c3cnccc3c(-c3cccs3)c3c2ccc2c3ccn2[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane?
The InChIKey is HVUAGTUZCYBDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43NOSSi.C35H38N2OSSi.2CH4/c1-23(2)40(24(3)4,25(5)6)37-21-20-30-32(37)19-18-31-34(26-14-16-27(38-7)17-15-26)28-11-8-9-12-29(28)36(35(30)31)33-13-10-22-39-33;1-22(2)40(23(3)4,24(5)6)37-19-17-28-31(37)15-14-29-33(25-10-12-26(38-7)13-11-25)30-21-36-18-16-27(30)35(34(28)29)32-9-8-20-39-32;;/h10,13-25H,8-9,11-12H2,1-7H3;8-24H,1-7H3;2*1H4.
What are the key properties of methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane?
methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane has a molecular weight of 1160.84 g/mol, XLogP of 23.14, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[6-(4-methoxyphenyl)-11-thiophen-2-ylindolo[4,5-g]isoquinolin-3-yl]-tri(propan-2-yl)silane;[6-(4-methoxyphenyl)-11-thiophen-2-yl-7,8,9,10-tetrahydronaphtho[2,3-e]indol-3-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 158602265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).