2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane

C38H54N2Si2 — CID 140861263

IUPAC2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccn(C)c32)c2c1ccn2C)(C(C)C)C(C)C
InChIInChI=1S/C38H54N2Si2/c1-25(2)41(26(3)4,27(5)6)21-17-31-23-35-36(37-33(31)15-19-39(37)13)24-32(34-16-20-40(14)38(34)35)18-22-42(28(7)8,29(9)10)30(11)12/h15-16,19-20,23-30H,1-14H3
InChIKeyKQYPSSZRILAZPZ-UHFFFAOYSA-N
MW595.04 g/mol
LogP10.96
Rot. Bonds6

About 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane

2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane (PubChem CID 140861263) has the molecular formula C38H54N2Si2 and a molecular weight of 595.04 g/mol. Its IUPAC name is 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane
PubChem CID140861263
Molecular FormulaC38H54N2Si2
Molecular Weight595.04 g/mol
Exact Mass594.38
IUPAC Name2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cc2c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccn(C)c32)c2c1ccn2C)(C(C)C)C(C)C
InChIInChI=1S/C38H54N2Si2/c1-25(2)41(26(3)4,27(5)6)21-17-31-23-35-36(37-33(31)15-19-39(37)13)24-32(34-16-20-40(14)38(34)35)18-22-42(28(7)8,29(9)10)30(11)12/h15-16,19-20,23-30H,1-14H3
InChIKeyKQYPSSZRILAZPZ-UHFFFAOYSA-N
XLogP10.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.04
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane (CID 140861263) is 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cc2c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3ccn(C)c32)c2c1ccn2C)(C(C)C)C(C)C.
What is the InChIKey of 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is KQYPSSZRILAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H54N2Si2/c1-25(2)41(26(3)4,27(5)6)21-17-31-23-35-36(37-33(31)15-19-39(37)13)24-32(34-16-20-40(14)38(34)35)18-22-42(28(7)8,29(9)10)30(11)12/h15-16,19-20,23-30H,1-14H3.
What are the key properties of 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane?
2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 595.04 g/mol, XLogP of 10.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,8-dimethyl-10-[2-tri(propan-2-yl)silylethynyl]indolo[7,6-g]indol-5-yl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 140861263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).