tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane

C36H40N2Si — CID 143948970

IUPACtri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane
SMILESCc1cc2c3cc4ccn(C)c4cc3ccc2c2cc3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n(C)c3cc12
InChIInChI=1S/C36H40N2Si/c1-22(2)39(23(3)4,24(5)6)15-13-29-17-28-19-34-30-11-10-26-20-35-27(12-14-37(35)8)18-32(26)33(30)16-25(7)31(34)21-36(28)38(29)9/h10-12,14,16-24H,1-9H3
InChIKeyULEBGIPCOCDCMN-UHFFFAOYSA-N
MW528.82 g/mol
LogP10.01
Rot. Bonds3

About tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane

tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane (PubChem CID 143948970) has the molecular formula C36H40N2Si and a molecular weight of 528.82 g/mol. Its IUPAC name is tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane
PubChem CID143948970
Molecular FormulaC36H40N2Si
Molecular Weight528.82 g/mol
Exact Mass528.30
IUPAC Nametri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane
SMILESCc1cc2c3cc4ccn(C)c4cc3ccc2c2cc3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n(C)c3cc12
InChIInChI=1S/C36H40N2Si/c1-22(2)39(23(3)4,24(5)6)15-13-29-17-28-19-34-30-11-10-26-20-35-27(12-14-37(35)8)18-32(26)33(30)16-25(7)31(34)21-36(28)38(29)9/h10-12,14,16-24H,1-9H3
InChIKeyULEBGIPCOCDCMN-UHFFFAOYSA-N
XLogP10.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 510.01
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'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane?
The IUPAC name of tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane (CID 143948970) is tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane is Cc1cc2c3cc4ccn(C)c4cc3ccc2c2cc3cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n(C)c3cc12.
What is the InChIKey of tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane?
The InChIKey is ULEBGIPCOCDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2Si/c1-22(2)39(23(3)4,24(5)6)15-13-29-17-28-19-34-30-11-10-26-20-35-27(12-14-37(35)8)18-32(26)33(30)16-25(7)31(34)21-36(28)38(29)9/h10-12,14,16-24H,1-9H3.
What are the key properties of tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane?
tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane has a molecular weight of 528.82 g/mol, XLogP of 10.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[2-(7,11,19-trimethyl-7,19-diazahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaen-6-yl)ethynyl]silane is sourced from PubChem (CID 143948970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).