6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one

C30H41NOSi — CID 177386891

IUPAC6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one
SMILESCCCCCCc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc2c2cccc(=O)n12
InChIInChI=1S/C30H41NOSi/c1-8-9-10-11-17-28-27(20-21-33(22(2)3,23(4)5)24(6)7)25-15-12-13-16-26(25)29-18-14-19-30(32)31(28)29/h12-16,18-19,22-24H,8-11,17H2,1-7H3
InChIKeyUNCZSDNSFPDWDI-UHFFFAOYSA-N
MW459.75 g/mol
LogP8.15
Rot. Bonds8

About 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one

6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one (PubChem CID 177386891) has the molecular formula C30H41NOSi and a molecular weight of 459.75 g/mol. Its IUPAC name is 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one.

Molecular Properties

Compound Name6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one
PubChem CID177386891
Molecular FormulaC30H41NOSi
Molecular Weight459.75 g/mol
Exact Mass459.30
IUPAC Name6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one
SMILESCCCCCCc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc2c2cccc(=O)n12
InChIInChI=1S/C30H41NOSi/c1-8-9-10-11-17-28-27(20-21-33(22(2)3,23(4)5)24(6)7)25-15-12-13-16-26(25)29-18-14-19-30(32)31(28)29/h12-16,18-19,22-24H,8-11,17H2,1-7H3
InChIKeyUNCZSDNSFPDWDI-UHFFFAOYSA-N
XLogP8.15
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.75
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

7,17-dioctyl-2-[2-tri(propan-2-yl)silylethynyl]-12-[2-[2-[2-[10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl]phenyl]ethynyl]-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),10,12,14,19-heptaene-6,8,16,18-tetrone
CID 177390106
4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54693055
2-[2,6-bis(5-hexylthiophen-2-yl)-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 87430751
4,5,17,18,30,31-hexahexyl-3,16,29-triazadecacyclo[26.11.0.02,14.03,7.08,13.015,27.016,20.021,26.029,33.034,39]nonatriaconta-1,4,6,8,10,12,14,17,19,21,23,25,27,30,32,34,36,38-octadecaene
CID 58130605
1,3-dimethyl-2-tridecylindole
CID 122371242
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
CID 142472984
5,6-diheptylindolo[2,1-a]isoquinoline
CID 162407481
2,5-bis[4-(4-dodecylphenyl)-3-phenylphenyl]-3-phenyl-4-[3-[2-tri(propan-2-yl)silylethynyl]phenyl]cyclopenta-2,4-dien-1-one
CID 134951024
6,13-bis[2-(4-hexyl-2,6-dimethylphenyl)ethynyl]pentacene;tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)germylethynyl]pentacen-6-yl]ethynyl]germane;tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
CID 158016661
2-[10,20-dipentyl-15-[2-tri(propan-2-yl)silylethynyl]-21,22-dihydroporphyrin-5-yl]ethynyl-tri(propan-2-yl)silane
CID 162097360
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one?
The IUPAC name of 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one (CID 177386891) is 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one.
What is the SMILES notation for 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one?
The canonical SMILES for 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one is CCCCCCc1c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc2c2cccc(=O)n12.
What is the InChIKey of 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one?
The InChIKey is UNCZSDNSFPDWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41NOSi/c1-8-9-10-11-17-28-27(20-21-33(22(2)3,23(4)5)24(6)7)25-15-12-13-16-26(25)29-18-14-19-30(32)31(28)29/h12-16,18-19,22-24H,8-11,17H2,1-7H3.
What are the key properties of 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one?
6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one has a molecular weight of 459.75 g/mol, XLogP of 8.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-7-[2-tri(propan-2-yl)silylethynyl]benzo[a]quinolizin-4-one is sourced from PubChem (CID 177386891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).