trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane

C32H34N2Si2 — CID 164999487

IUPACtrimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane
SMILESCc1ccc2c3nc(C#C[Si](C)(C)C)c(C)c4c(C)ccc(c5nc(C#C[Si](C)(C)C)c(C)c1c25)c43
InChIInChI=1S/C32H34N2Si2/c1-19-11-13-23-29-27(19)21(3)25(15-17-35(5,6)7)33-31(29)24-14-12-20(2)28-22(4)26(16-18-36(8,9)10)34-32(23)30(24)28/h11-14H,1-10H3
InChIKeyIAOKZNRUDIUJAC-UHFFFAOYSA-N
MW502.81 g/mol
LogP8.22
Rot. Bonds

About trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane

trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane (PubChem CID 164999487) has the molecular formula C32H34N2Si2 and a molecular weight of 502.81 g/mol. Its IUPAC name is trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane
PubChem CID164999487
Molecular FormulaC32H34N2Si2
Molecular Weight502.81 g/mol
Exact Mass502.23
IUPAC Nametrimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane
SMILESCc1ccc2c3nc(C#C[Si](C)(C)C)c(C)c4c(C)ccc(c5nc(C#C[Si](C)(C)C)c(C)c1c25)c43
InChIInChI=1S/C32H34N2Si2/c1-19-11-13-23-29-27(19)21(3)25(15-17-35(5,6)7)33-31(29)24-14-12-20(2)28-22(4)26(16-18-36(8,9)10)34-32(23)30(24)28/h11-14H,1-10H3
InChIKeyIAOKZNRUDIUJAC-UHFFFAOYSA-N
XLogP8.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.81
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane with MolForge

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Related Compounds

15,21,32,34,36,42-hexamethyltridecacyclo[27.11.1.116,20.02,7.03,28.04,25.05,18.06,11.08,39.012,17.019,24.033,41.035,40]dotetraconta-1(41),2,4,6(11),7,9,12(17),13,15,18,20(42),21,23,25,27,29,31,33,35,37,39-henicosaene
CID 132548286
trimethyl-[2-[2,3,5,6-tetrakis(2-trimethylsilylethynyl)-4-pyridinyl]ethynyl]silane
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CID 102575397
1,4,5,8-tetramethylphenanthrene
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2-(6-ethynyl-2-pyridinyl)ethynyl-trimethylsilane
CID 12967993
3-methyl-4-(2-trimethylsilylethynyl)cyclobut-3-ene-1,2-dione
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trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
trimethyl-[2-[1-methyl-13-(2-trimethylsilylethynyl)pentacen-6-yl]ethynyl]silane
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2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882
1,4,5,6,10-pentamethylpyrene
CID 59510037
trimethyl(2-phenanthren-2-ylethynyl)silane
CID 131953552

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane (CID 164999487) is trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane is Cc1ccc2c3nc(C#C[Si](C)(C)C)c(C)c4c(C)ccc(c5nc(C#C[Si](C)(C)C)c(C)c1c25)c43.
What is the InChIKey of trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane?
The InChIKey is IAOKZNRUDIUJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2Si2/c1-19-11-13-23-29-27(19)21(3)25(15-17-35(5,6)7)33-31(29)24-14-12-20(2)28-22(4)26(16-18-36(8,9)10)34-32(23)30(24)28/h11-14H,1-10H3.
What are the key properties of trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane?
trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane has a molecular weight of 502.81 g/mol, XLogP of 8.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5,7,14,16-tetramethyl-13-(2-trimethylsilylethynyl)-3,12-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaen-4-yl]ethynyl]silane is sourced from PubChem (CID 164999487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).