tributyl(phenanthridin-6-yl)stannane

C25H35NSn — CID 171832720

IUPACtributyl(phenanthridin-6-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C13H8N.3C4H9.Sn/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3*1-3-4-2;/h1-8H;3*1,3-4H2,2H3;
InChIKeyONSZCJPQAZKLDY-UHFFFAOYSA-N
MW468.27 g/mol
LogP7.44
Rot. Bonds10

About tributyl(phenanthridin-6-yl)stannane

tributyl(phenanthridin-6-yl)stannane (PubChem CID 171832720) has the molecular formula C25H35NSn and a molecular weight of 468.27 g/mol. Its IUPAC name is tributyl(phenanthridin-6-yl)stannane.

Molecular Properties

Compound Nametributyl(phenanthridin-6-yl)stannane
PubChem CID171832720
Molecular FormulaC25H35NSn
Molecular Weight468.27 g/mol
Exact Mass469.18
IUPAC Nametributyl(phenanthridin-6-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C13H8N.3C4H9.Sn/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3*1-3-4-2;/h1-8H;3*1,3-4H2,2H3;
InChIKeyONSZCJPQAZKLDY-UHFFFAOYSA-N
XLogP7.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.27
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
9-butylacridine
CID 606127
[4-(1H-benzimidazol-2-yl)phenyl]-tributylstannane
CID 139823353
2-chloro-4-pentadecylquinoline
CID 3679887
acridine;heptane
CID 158562494
4-chloro-2-decylquinoline
CID 171487257
tributyl-(5-methyl-6-phenyl-2-pyridinyl)stannane
CID 67397521
4-chloro-2,3-didecylquinoline
CID 141080010
2-amino-3-butylquinazolin-4-one
CID 71653207
2-butoxy-3H-quinazolin-4-one
CID 136999718
N,N-diphenyl-5-tributylstannylfuran-2-amine
CID 152704451
4-hexyl-2-methylquinoline
CID 12861362

Frequently Asked Questions

What is the IUPAC name of tributyl(phenanthridin-6-yl)stannane?
The IUPAC name of tributyl(phenanthridin-6-yl)stannane (CID 171832720) is tributyl(phenanthridin-6-yl)stannane.
What is the SMILES notation for tributyl(phenanthridin-6-yl)stannane?
The canonical SMILES for tributyl(phenanthridin-6-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nc2ccccc2c2ccccc12.
What is the InChIKey of tributyl(phenanthridin-6-yl)stannane?
The InChIKey is ONSZCJPQAZKLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.3C4H9.Sn/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3*1-3-4-2;/h1-8H;3*1,3-4H2,2H3;.
What are the key properties of tributyl(phenanthridin-6-yl)stannane?
tributyl(phenanthridin-6-yl)stannane has a molecular weight of 468.27 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(phenanthridin-6-yl)stannane is sourced from PubChem (CID 171832720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).