dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline

C26H22Cl2N2Sn — CID 50911786

IUPACdichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline
SMILESCc1c(C)c2cccnc2c2ncccc12.Cl[Sn](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2.2C6H5.2ClH.Sn/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*1-2-4-6-5-3-1;;;/h3-8H,1-2H3;2*1-5H;2*1H;/q;;;;;+2/p-2
InChIKeyXPEIAVVBGGYDGZ-UHFFFAOYSA-L
MW552.09 g/mol
LogP6.12
Rot. Bonds2

About dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline

dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline (PubChem CID 50911786) has the molecular formula C26H22Cl2N2Sn and a molecular weight of 552.09 g/mol. Its IUPAC name is dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline.

Molecular Properties

Compound Namedichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline
PubChem CID50911786
Molecular FormulaC26H22Cl2N2Sn
Molecular Weight552.09 g/mol
Exact Mass552.02
IUPAC Namedichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline
SMILESCc1c(C)c2cccnc2c2ncccc12.Cl[Sn](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N2.2C6H5.2ClH.Sn/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*1-2-4-6-5-3-1;;;/h3-8H,1-2H3;2*1-5H;2*1H;/q;;;;;+2/p-2
InChIKeyXPEIAVVBGGYDGZ-UHFFFAOYSA-L
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.09
LogP ≤ 56.12
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 dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline?
The IUPAC name of dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline (CID 50911786) is dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline.
What is the SMILES notation for dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline?
The canonical SMILES for dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline is Cc1c(C)c2cccnc2c2ncccc12.Cl[Sn](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline?
The InChIKey is XPEIAVVBGGYDGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2.2C6H5.2ClH.Sn/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13;2*1-2-4-6-5-3-1;;;/h3-8H,1-2H3;2*1-5H;2*1H;/q;;;;;+2/p-2.
What are the key properties of dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline?
dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline has a molecular weight of 552.09 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(diphenyl)stannane;5,6-dimethyl-1,10-phenanthroline is sourced from PubChem (CID 50911786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).