CID 173215314

C32H50Cl2N2O2Sn — CID 173215314

IUPAC—
SMILESCC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl.Cl.[Sn]
InChIInChI=1S/C32H48N2O2.2ClH.Sn/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;;;/h15-20,35-36H,13-14H2,1-12H3;2*1H;/b33-19+,34-20+;;;
InChIKeyCGCZRSIZSNQBKP-UXNUZGMJSA-N
MW684.38 g/mol
LogP8.29
Rot. Bonds5

About CID 173215314

CID 173215314 (PubChem CID 173215314) has the molecular formula C32H50Cl2N2O2Sn and a molecular weight of 684.38 g/mol.

Molecular Properties

Compound NameCID 173215314
PubChem CID173215314
Molecular FormulaC32H50Cl2N2O2Sn
Molecular Weight684.38 g/mol
Exact Mass684.23
IUPAC Name—
SMILESCC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl.Cl.[Sn]
InChIInChI=1S/C32H48N2O2.2ClH.Sn/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;;;/h15-20,35-36H,13-14H2,1-12H3;2*1H;/b33-19+,34-20+;;;
InChIKeyCGCZRSIZSNQBKP-UXNUZGMJSA-N
XLogP8.29
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.38
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 173215314 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 136790281
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136814344
CID 173199978
CID 173199978
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
CID 136835032
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
2,4-ditert-butyl-6-[(E)-2-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]oxyethoxyiminomethyl]phenol
CID 135440193
cobalt(2+);2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
CID 25209236
5-tert-butyl-3-[3-[(5-tert-butyl-3-formyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-2-hydroxybenzaldehyde
CID 136866248
(2R)-2,3-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 139161245
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529

Frequently Asked Questions

What is the IUPAC name of CID 173215314?
The IUPAC name of CID 173215314 (CID 173215314) is not available.
What is the SMILES notation for CID 173215314?
The canonical SMILES for CID 173215314 is CC(C)(C)c1cc(/C=N/CC/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.Cl.Cl.[Sn].
What is the InChIKey of CID 173215314?
The InChIKey is CGCZRSIZSNQBKP-UXNUZGMJSA-N. The full InChI is InChI=1S/C32H48N2O2.2ClH.Sn/c1-29(2,3)23-15-21(27(35)25(17-23)31(7,8)9)19-33-13-14-34-20-22-16-24(30(4,5)6)18-26(28(22)36)32(10,11)12;;;/h15-20,35-36H,13-14H2,1-12H3;2*1H;/b33-19+,34-20+;;;.
What are the key properties of CID 173215314?
CID 173215314 has a molecular weight of 684.38 g/mol, XLogP of 8.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173215314 is sourced from PubChem (CID 173215314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).