1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene

C60H92Si3 — CID 71660724

IUPAC1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene
SMILESCC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3
InChIKeyILMLYUGPFWPFJD-UHFFFAOYSA-N
MW897.65 g/mol
LogP15.78
Rot. Bonds16

About 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene

1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene (PubChem CID 71660724) has the molecular formula C60H92Si3 and a molecular weight of 897.65 g/mol. Its IUPAC name is 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene.

Molecular Properties

Compound Name1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene
PubChem CID71660724
Molecular FormulaC60H92Si3
Molecular Weight897.65 g/mol
Exact Mass896.65
IUPAC Name1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene
SMILESCC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3
InChIKeyILMLYUGPFWPFJD-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.65
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene?
The IUPAC name of 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene (CID 71660724) is 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene.
What is the SMILES notation for 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene?
The canonical SMILES for 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene is CC(C)c1cc(C(C)C)c([Si]2=[Si](c3c(C(C)C)cc(C(C)C)cc3C(C)C)[Si]2(c2c(C(C)C)cc(C(C)C)cc2C(C)C)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene?
The InChIKey is ILMLYUGPFWPFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H92Si3/c1-33(2)45-25-49(37(9)10)57(50(26-45)38(11)12)61-62(58-51(39(13)14)27-46(34(3)4)28-52(58)40(15)16)63(61,59-53(41(17)18)29-47(35(5)6)30-54(59)42(19)20)60-55(43(21)22)31-48(36(7)8)32-56(60)44(23)24/h25-44H,1-24H3.
What are the key properties of 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene?
1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene has a molecular weight of 897.65 g/mol, XLogP of 15.78, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrakis[2,4,6-tri(propan-2-yl)phenyl]trisilirene is sourced from PubChem (CID 71660724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).