tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane

C29H40N2Sn — CID 58163083

IUPACtributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c3cc(C)c(C)cc3n3ccnc3c12
InChIInChI=1S/C17H13N2.3C4H9.Sn/c1-11-9-15-13-5-3-4-6-14(13)17-18-7-8-19(17)16(15)10-12(11)2;3*1-3-4-2;/h3-5,7-10H,1-2H3;3*1,3-4H2,2H3;
InChIKeyPESRYMCLFGWGLW-UHFFFAOYSA-N
MW535.36 g/mol
LogP8.31
Rot. Bonds10

About tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane

tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane (PubChem CID 58163083) has the molecular formula C29H40N2Sn and a molecular weight of 535.36 g/mol. Its IUPAC name is tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane.

Molecular Properties

Compound Nametributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane
PubChem CID58163083
Molecular FormulaC29H40N2Sn
Molecular Weight535.36 g/mol
Exact Mass536.22
IUPAC Nametributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c3cc(C)c(C)cc3n3ccnc3c12
InChIInChI=1S/C17H13N2.3C4H9.Sn/c1-11-9-15-13-5-3-4-6-14(13)17-18-7-8-19(17)16(15)10-12(11)2;3*1-3-4-2;/h3-5,7-10H,1-2H3;3*1,3-4H2,2H3;
InChIKeyPESRYMCLFGWGLW-UHFFFAOYSA-N
XLogP8.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.36
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane?
The IUPAC name of tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane (CID 58163083) is tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane.
What is the SMILES notation for tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane?
The canonical SMILES for tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cccc2c3cc(C)c(C)cc3n3ccnc3c12.
What is the InChIKey of tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane?
The InChIKey is PESRYMCLFGWGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2.3C4H9.Sn/c1-11-9-15-13-5-3-4-6-14(13)17-18-7-8-19(17)16(15)10-12(11)2;3*1-3-4-2;/h3-5,7-10H,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane?
tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane has a molecular weight of 535.36 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(6,7-dimethylimidazo[1,2-f]phenanthridin-12-yl)stannane is sourced from PubChem (CID 58163083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).