CID 156655657

C31H27IrNPSi2- — CID 156655657

IUPAC—
SMILESC[Si]1(C)c2[c-]c(-c3ccc4ccccc4n3)cc3c2P(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C31H27NPSi2.Ir/c1-34(2)27-15-9-7-13-25(27)33-26-14-8-10-16-28(26)35(3,4)30-20-22(19-29(34)31(30)33)24-18-17-21-11-5-6-12-23(21)32-24;/h5-19H,1-4H3;/q-1;
InChIKeyXKROUUSZTFTRNG-UHFFFAOYSA-N
MW692.93 g/mol
LogP3.73
Rot. Bonds1

About CID 156655657

CID 156655657 (PubChem CID 156655657) has the molecular formula C31H27IrNPSi2- and a molecular weight of 692.93 g/mol.

Molecular Properties

Compound NameCID 156655657
PubChem CID156655657
Molecular FormulaC31H27IrNPSi2-
Molecular Weight692.93 g/mol
Exact Mass693.11
IUPAC Name—
SMILESC[Si]1(C)c2[c-]c(-c3ccc4ccccc4n3)cc3c2P(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir]
InChIInChI=1S/C31H27NPSi2.Ir/c1-34(2)27-15-9-7-13-25(27)33-26-14-8-10-16-28(26)35(3,4)30-20-22(19-29(34)31(30)33)24-18-17-21-11-5-6-12-23(21)32-24;/h5-19H,1-4H3;/q-1;
InChIKeyXKROUUSZTFTRNG-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.93
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 156655612
CID 156655612
CID 156655627
CID 156655627
iridium;2-(3-isocyanobenzene-6-id-1-yl)quinoline
CID 155625058
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
iridium;2-(4,9,9-trimethyl-3H-fluoren-3-id-2-yl)quinoline
CID 177115881
CID 156655615
CID 156655615
iridium;tris(2-phenylquinoline)
CID 122129463
2-(12,18-diselena-1-phosphaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaen-15-yl)quinoline
CID 156655269
carbanide;2-phenylquinoline;platinum
CID 21044184
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;iridium;2,2,7,7-tetramethyl-1,3,3a,4,5,6,8,8a-octahydroazulene-1,8-diol
CID 170527806
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746

Frequently Asked Questions

What is the IUPAC name of CID 156655657?
The IUPAC name of CID 156655657 (CID 156655657) is not available.
What is the SMILES notation for CID 156655657?
The canonical SMILES for CID 156655657 is C[Si]1(C)c2[c-]c(-c3ccc4ccccc4n3)cc3c2P(c2ccccc21)c1ccccc1[Si]3(C)C.[Ir].
What is the InChIKey of CID 156655657?
The InChIKey is XKROUUSZTFTRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NPSi2.Ir/c1-34(2)27-15-9-7-13-25(27)33-26-14-8-10-16-28(26)35(3,4)30-20-22(19-29(34)31(30)33)24-18-17-21-11-5-6-12-23(21)32-24;/h5-19H,1-4H3;/q-1;.
What are the key properties of CID 156655657?
CID 156655657 has a molecular weight of 692.93 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655657 is sourced from PubChem (CID 156655657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).