tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane

C40H50Se2Si2 — CID 140861271

IUPACtri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc3cc[se]c3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc[se]c3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H50Se2Si2/c1-25(2)43(26(3)4,27(5)6)19-15-33-35-21-31-13-17-42-40(31)24-38(35)34(16-20-44(28(7)8,29(9)10)30(11)12)36-22-32-14-18-41-39(32)23-37(33)36/h13-14,17-18,21-30H,1-12H3
InChIKeyAWXZPUVKQIXRFX-UHFFFAOYSA-N
MW744.93 g/mol
LogP11.55
Rot. Bonds6

About tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane

tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane (PubChem CID 140861271) has the molecular formula C40H50Se2Si2 and a molecular weight of 744.93 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
PubChem CID140861271
Molecular FormulaC40H50Se2Si2
Molecular Weight744.93 g/mol
Exact Mass746.18
IUPAC Nametri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane
SMILESCC(C)[Si](C#Cc1c2cc3cc[se]c3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc[se]c3cc12)(C(C)C)C(C)C
InChIInChI=1S/C40H50Se2Si2/c1-25(2)43(26(3)4,27(5)6)19-15-33-35-21-31-13-17-42-40(31)24-38(35)34(16-20-44(28(7)8,29(9)10)30(11)12)36-22-32-14-18-41-39(32)23-37(33)36/h13-14,17-18,21-30H,1-12H3
InChIKeyAWXZPUVKQIXRFX-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.93
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane with MolForge

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Related Compounds

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tri(propan-2-yl)-[2-[2-[2-tri(propan-2-yl)silylethynyl]-7,19-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl]ethynyl]silane
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trimethoxy-[2-[13-(2-trimethoxysilylethynyl)pentacen-6-yl]ethynyl]silane;tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
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tri(propan-2-yl)-[2-[22-[2-tri(propan-2-yl)silylethynyl]-7-octacyclo[21.7.1.18,12.02,21.04,19.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaenyl]ethynyl]silane
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but-3-en-2-yl-[2-[13-[2-[but-3-en-2-yl-di(propan-2-yl)silyl]ethynyl]pentacen-6-yl]ethynyl]-di(propan-2-yl)silane
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CID 102336484
3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol
CID 23583296

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane (CID 140861271) is tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane is CC(C)[Si](C#Cc1c2cc3cc[se]c3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc[se]c3cc12)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
The InChIKey is AWXZPUVKQIXRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50Se2Si2/c1-25(2)43(26(3)4,27(5)6)19-15-33-35-21-31-13-17-42-40(31)24-38(35)34(16-20-44(28(7)8,29(9)10)30(11)12)36-22-32-14-18-41-39(32)23-37(33)36/h13-14,17-18,21-30H,1-12H3.
What are the key properties of tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane?
tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane has a molecular weight of 744.93 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-[12-[2-tri(propan-2-yl)silylethynyl]-6,16-diselenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaen-2-yl]ethynyl]silane is sourced from PubChem (CID 140861271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).