platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol

C37H28N3OPt- — CID 166511962

IUPACplatinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol
SMILESCc1cc(C)c(-c2cc(-c3ccccc3O)[c-]c3c2c2ccccc2n3-c2cccc(-c3ccccn3)n2)c(C)c1.[Pt]
InChIInChI=1S/C37H28N3O.Pt/c1-23-19-24(2)36(25(3)20-23)29-21-26(27-11-5-7-16-34(27)41)22-33-37(29)28-12-4-6-15-32(28)40(33)35-17-10-14-31(39-35)30-13-8-9-18-38-30;/h4-21,41H,1-3H3;/q-1;
InChIKeyKIKJPOJFQRXTTF-UHFFFAOYSA-N
MW725.73 g/mol
LogP9.00
Rot. Bonds4

About platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol

platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol (PubChem CID 166511962) has the molecular formula C37H28N3OPt- and a molecular weight of 725.73 g/mol. Its IUPAC name is platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol.

Molecular Properties

Compound Nameplatinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol
PubChem CID166511962
Molecular FormulaC37H28N3OPt-
Molecular Weight725.73 g/mol
Exact Mass725.19
IUPAC Nameplatinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol
SMILESCc1cc(C)c(-c2cc(-c3ccccc3O)[c-]c3c2c2ccccc2n3-c2cccc(-c3ccccn3)n2)c(C)c1.[Pt]
InChIInChI=1S/C37H28N3O.Pt/c1-23-19-24(2)36(25(3)20-23)29-21-26(27-11-5-7-16-34(27)41)22-33-37(29)28-12-4-6-15-32(28)40(33)35-17-10-14-31(39-35)30-13-8-9-18-38-30;/h4-21,41H,1-3H3;/q-1;
InChIKeyKIKJPOJFQRXTTF-UHFFFAOYSA-N
XLogP9.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.73
LogP ≤ 59.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

platinum;2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]phenol
CID 164823524
CID 164701894
CID 164701894
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 164823645
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
2,4-dimethyl-6-(6-pyridin-2-yl-2-pyridinyl)phenol
CID 137254307
4-tert-butyl-2-[9-(4-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)pyrido[2,3-b]indol-2-yl]phenol;platinum
CID 164823548
25-(6-pyridin-2-yl-2-pyridinyl)-10,25-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432127
7-(4-phenylphenyl)-5-(6-pyridin-2-yl-2-pyridinyl)indolo[2,3-b]carbazole
CID 129254521
2-(2-carbazol-9-id-1-yl-1-phenylbenzimidazol-4-yl)-9-pyridin-2-yl-6-(2,4,6-trimethylphenyl)-1H-carbazol-1-ide;platinum(2+)
CID 176642958
2-[2-[3-[dimethyl(pyridin-2-yl)silyl]benzene-2-id-1-yl]pyrido[2,3-b]indol-9-yl]-4,6-dimethylphenol;platinum
CID 154590092
2,4-ditert-butyl-6-[6-tert-butyl-9-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]pyrido[2,3-b]indol-2-yl]phenol;2,4-ditert-butyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;2,4-dimethyl-6-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate;platinum;tris(platinum(2+));2-[6-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)-2-pyridinyl]benzenethiolate
CID 158721446

Frequently Asked Questions

What is the IUPAC name of platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol?
The IUPAC name of platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol (CID 166511962) is platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol.
What is the SMILES notation for platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol?
The canonical SMILES for platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol is Cc1cc(C)c(-c2cc(-c3ccccc3O)[c-]c3c2c2ccccc2n3-c2cccc(-c3ccccn3)n2)c(C)c1.[Pt].
What is the InChIKey of platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol?
The InChIKey is KIKJPOJFQRXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N3O.Pt/c1-23-19-24(2)36(25(3)20-23)29-21-26(27-11-5-7-16-34(27)41)22-33-37(29)28-12-4-6-15-32(28)40(33)35-17-10-14-31(39-35)30-13-8-9-18-38-30;/h4-21,41H,1-3H3;/q-1;.
What are the key properties of platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol?
platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol has a molecular weight of 725.73 g/mol, XLogP of 9.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[9-(6-pyridin-2-yl-2-pyridinyl)-4-(2,4,6-trimethylphenyl)-1H-carbazol-1-id-2-yl]phenol is sourced from PubChem (CID 166511962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).