tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane

C42H60N2Si2 — CID 101180309

IUPACtri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=C(CCC1=Cc3cccc4c3c(cn4[Si](C(C)C)(C(C)C)C(C)C)C1)C2
InChIInChI=1S/C42H60N2Si2/c1-27(2)45(28(3)4,29(5)6)43-25-37-23-33(21-35-15-13-17-39(43)41(35)37)19-20-34-22-36-16-14-18-40-42(36)38(24-34)26-44(40)46(30(7)8,31(9)10)32(11)12/h13-18,21-22,25-32H,19-20,23-24H2,1-12H3
InChIKeyOGINKCHEJBGNDV-UHFFFAOYSA-N
MW649.13 g/mol
LogP13.00
Rot. Bonds11

About tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane

tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane (PubChem CID 101180309) has the molecular formula C42H60N2Si2 and a molecular weight of 649.13 g/mol. Its IUPAC name is tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane
PubChem CID101180309
Molecular FormulaC42H60N2Si2
Molecular Weight649.13 g/mol
Exact Mass648.43
IUPAC Nametri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=C(CCC1=Cc3cccc4c3c(cn4[Si](C(C)C)(C(C)C)C(C)C)C1)C2
InChIInChI=1S/C42H60N2Si2/c1-27(2)45(28(3)4,29(5)6)43-25-37-23-33(21-35-15-13-17-39(43)41(35)37)19-20-34-22-36-16-14-18-40-42(36)38(24-34)26-44(40)46(30(7)8,31(9)10)32(11)12/h13-18,21-22,25-32H,19-20,23-24H2,1-12H3
InChIKeyOGINKCHEJBGNDV-UHFFFAOYSA-N
XLogP13.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.13
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane?
The IUPAC name of tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane (CID 101180309) is tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane is CC(C)[Si](C(C)C)(C(C)C)n1cc2c3c(cccc31)C=C(CCC1=Cc3cccc4c3c(cn4[Si](C(C)C)(C(C)C)C(C)C)C1)C2.
What is the InChIKey of tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane?
The InChIKey is OGINKCHEJBGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H60N2Si2/c1-27(2)45(28(3)4,29(5)6)43-25-37-23-33(21-35-15-13-17-39(43)41(35)37)19-20-34-22-36-16-14-18-40-42(36)38(24-34)26-44(40)46(30(7)8,31(9)10)32(11)12/h13-18,21-22,25-32H,19-20,23-24H2,1-12H3.
What are the key properties of tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane?
tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane has a molecular weight of 649.13 g/mol, XLogP of 13.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[4-[2-[1-tri(propan-2-yl)silyl-3H-benzo[cd]indol-4-yl]ethyl]-3H-benzo[cd]indol-1-yl]silane is sourced from PubChem (CID 101180309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).