bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride

C26H30Cl6N4O2Sn — CID 3056620

IUPACbis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride
SMILESC(c1c[nH]c2ccccc12)=[N+]1CCOCC1.C(c1c[nH]c2ccccc12)=[N+]1CCOCC1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
InChIInChI=1S/2C13H14N2O.6ClH.Sn/c2*1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15;;;;;;;/h2*1-4,9-10H,5-8H2;6*1H;/q;;;;;;;;+4/p-4
InChIKeyNCRBCUGNCAKSTN-UHFFFAOYSA-J
MW761.98 g/mol
LogP-15.10
Rot. Bonds2

About bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride

bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride (PubChem CID 3056620) has the molecular formula C26H30Cl6N4O2Sn and a molecular weight of 761.98 g/mol. Its IUPAC name is bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride.

Molecular Properties

Compound Namebis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride
PubChem CID3056620
Molecular FormulaC26H30Cl6N4O2Sn
Molecular Weight761.98 g/mol
Exact Mass759.95
IUPAC Namebis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride
SMILESC(c1c[nH]c2ccccc12)=[N+]1CCOCC1.C(c1c[nH]c2ccccc12)=[N+]1CCOCC1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4]
InChIInChI=1S/2C13H14N2O.6ClH.Sn/c2*1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15;;;;;;;/h2*1-4,9-10H,5-8H2;6*1H;/q;;;;;;;;+4/p-4
InChIKeyNCRBCUGNCAKSTN-UHFFFAOYSA-J
XLogP-15.10
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500761.98
LogP ≤ 5-15.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride?
The IUPAC name of bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride (CID 3056620) is bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride.
What is the SMILES notation for bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride?
The canonical SMILES for bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride is C(c1c[nH]c2ccccc12)=[N+]1CCOCC1.C(c1c[nH]c2ccccc12)=[N+]1CCOCC1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sn+4].
What is the InChIKey of bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride?
The InChIKey is NCRBCUGNCAKSTN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H14N2O.6ClH.Sn/c2*1-2-4-13-12(3-1)11(9-14-13)10-15-5-7-16-8-6-15;;;;;;;/h2*1-4,9-10H,5-8H2;6*1H;/q;;;;;;;;+4/p-4.
What are the key properties of bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride?
bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride has a molecular weight of 761.98 g/mol, XLogP of -15.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(1H-indol-3-ylmethylidene)morpholin-4-ium);tin(4+);hexachloride is sourced from PubChem (CID 3056620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).