2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane

C34H36N2Si — CID 90291070

IUPAC2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane
SMILESCC[Si](C#Cc1cc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C34H36N2Si/c1-8-37(22(2)3,23(4)5)16-14-28-17-27-19-32-25(21-34(27)36(28)7)10-12-29-30(32)11-9-24-20-33-26(18-31(24)29)13-15-35(33)6/h9-13,15,17-23H,8H2,1-7H3
InChIKeyYFKGUFUGQRDEGP-UHFFFAOYSA-N
MW500.76 g/mol
LogP9.31
Rot. Bonds3

About 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane

2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane (PubChem CID 90291070) has the molecular formula C34H36N2Si and a molecular weight of 500.76 g/mol. Its IUPAC name is 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane.

Molecular Properties

Compound Name2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane
PubChem CID90291070
Molecular FormulaC34H36N2Si
Molecular Weight500.76 g/mol
Exact Mass500.26
IUPAC Name2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane
SMILESCC[Si](C#Cc1cc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc2n1C)(C(C)C)C(C)C
InChIInChI=1S/C34H36N2Si/c1-8-37(22(2)3,23(4)5)16-14-28-17-27-19-32-25(21-34(27)36(28)7)10-12-29-30(32)11-9-24-20-33-26(18-31(24)29)13-15-35(33)6/h9-13,15,17-23H,8H2,1-7H3
InChIKeyYFKGUFUGQRDEGP-UHFFFAOYSA-N
XLogP9.31
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.76
LogP ≤ 59.31
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_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane?
The IUPAC name of 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane (CID 90291070) is 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane.
What is the SMILES notation for 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane?
The canonical SMILES for 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane is CC[Si](C#Cc1cc2cc3c(ccc4c5cc6ccn(C)c6cc5ccc34)cc2n1C)(C(C)C)C(C)C.
What is the InChIKey of 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane?
The InChIKey is YFKGUFUGQRDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2Si/c1-8-37(22(2)3,23(4)5)16-14-28-17-27-19-32-25(21-34(27)36(28)7)10-12-29-30(32)11-9-24-20-33-26(18-31(24)29)13-15-35(33)6/h9-13,15,17-23H,8H2,1-7H3.
What are the key properties of 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane?
2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane has a molecular weight of 500.76 g/mol, XLogP of 9.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,19-dimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl-ethyl-di(propan-2-yl)silane is sourced from PubChem (CID 90291070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).