4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)

C49H40N4OPtSi — CID 168721112

IUPAC4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)
SMILES[C-]#[N+]c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)[Si](c3ccccc3)(c3ccccc3)c3c(C(C)(C)C)ccnc3-4)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C49H40N4OSi.Pt/c1-48(2,3)32-24-26-51-45(28-32)53-42-22-18-33(50-7)29-39(42)38-21-19-35(31-43(38)53)54-34-20-23-44-40(30-34)46-47(41(25-27-52-46)49(4,5)6)55(44,36-14-10-8-11-15-36)37-16-12-9-13-17-37;/h8-29H,1-6H3;/q-2;+2
InChIKeyHSZYAVZIUOZCPK-UHFFFAOYSA-N
MW924.05 g/mol
LogP9.47
Rot. Bonds5

About 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)

4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) (PubChem CID 168721112) has the molecular formula C49H40N4OPtSi and a molecular weight of 924.05 g/mol. Its IUPAC name is 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+).

Molecular Properties

Compound Name4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)
PubChem CID168721112
Molecular FormulaC49H40N4OPtSi
Molecular Weight924.05 g/mol
Exact Mass923.26
IUPAC Name4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)
SMILES[C-]#[N+]c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)[Si](c3ccccc3)(c3ccccc3)c3c(C(C)(C)C)ccnc3-4)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2]
InChIInChI=1S/C49H40N4OSi.Pt/c1-48(2,3)32-24-26-51-45(28-32)53-42-22-18-33(50-7)29-39(42)38-21-19-35(31-43(38)53)54-34-20-23-44-40(30-34)46-47(41(25-27-52-46)49(4,5)6)55(44,36-14-10-8-11-15-36)37-16-12-9-13-17-37;/h8-29H,1-6H3;/q-2;+2
InChIKeyHSZYAVZIUOZCPK-UHFFFAOYSA-N
XLogP9.47
TPSA44.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.05
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) with MolForge

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Launch Full Analysis

Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-isocyanobenzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 155636233
5-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2-methylthieno[2,3-c]pyridine;platinum(2+)
CID 155636207
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-3-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446598
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446547
9-(4-tert-butyl-2-pyridinyl)-2-[3-isocyano-5-(3-phenyl-2H-benzimidazol-1-ium-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 162465505
6-tert-butyl-12-[5-(4-tert-butyl-2-pyridinyl)pyrido[4,3-b]indol-3-yl]oxy-8,8-diphenyl-3,10-diaza-8-silatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168720951
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-1H-carbazol-1-id-2-yl]oxy]-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide;platinum(2+)
CID 162446625
6-tert-butyl-2-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanobenzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155636211
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-(3-isocyano-5-pyridin-2-ylbenzene-6-id-1-yl)sulfanyl-1H-carbazol-1-ide;platinum(2+)
CID 155636049
[9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)
CID 168743709
9-(4-tert-butyl-2-pyridinyl)-2-[3-[1-(4-tert-butyl-2-pyridinyl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 176783219
9-(4-tert-butyl-2-pyridinyl)-2-[3-(4-phenyl-2H-pyrrol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168848314

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)?
The IUPAC name of 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) (CID 168721112) is 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+).
What is the SMILES notation for 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)?
The canonical SMILES for 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) is [C-]#[N+]c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)[Si](c3ccccc3)(c3ccccc3)c3c(C(C)(C)C)ccnc3-4)[c-]c1n2-c1cc(C(C)(C)C)ccn1.[Pt+2].
What is the InChIKey of 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)?
The InChIKey is HSZYAVZIUOZCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4OSi.Pt/c1-48(2,3)32-24-26-51-45(28-32)53-42-22-18-33(50-7)29-39(42)38-21-19-35(31-43(38)53)54-34-20-23-44-40(30-34)46-47(41(25-27-52-46)49(4,5)6)55(44,36-14-10-8-11-15-36)37-16-12-9-13-17-37;/h8-29H,1-6H3;/q-2;+2.
What are the key properties of 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+)?
4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) has a molecular weight of 924.05 g/mol, XLogP of 9.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-8-[[9-(4-tert-butyl-2-pyridinyl)-6-isocyano-1H-carbazol-1-id-2-yl]oxy]-5,5-diphenyl-9H-[1]benzosilolo[3,2-b]pyridin-9-ide;platinum(2+) is sourced from PubChem (CID 168721112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).