[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C53H34N6OPt-2 — CID 165167879

IUPAC[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1
InChIInChI=1S/C53H34N6O.Pt/c1-36-28-52(56-33-47(36)39-31-54-34-55-32-39)59-48-23-9-8-20-45(48)46-27-26-42(30-51(46)59)60-41-19-12-18-40(29-41)57-35-58(50-25-11-10-24-49(50)57)53-43(37-14-4-2-5-15-37)21-13-22-44(53)38-16-6-3-7-17-38;/h2-28,31-34H,1H3;/q-2;
InChIKeyFAXKUSZJOMSMJO-UHFFFAOYSA-N
MW965.97 g/mol
LogP12.48
Rot. Bonds8

About [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 165167879) has the molecular formula C53H34N6OPt-2 and a molecular weight of 965.97 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
PubChem CID165167879
Molecular FormulaC53H34N6OPt-2
Molecular Weight965.97 g/mol
Exact Mass965.25
IUPAC Name[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
SMILESCc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1
InChIInChI=1S/C53H34N6O.Pt/c1-36-28-52(56-33-47(36)39-31-54-34-55-32-39)59-48-23-9-8-20-45(48)46-27-26-42(30-51(46)59)60-41-19-12-18-40(29-41)57-35-58(50-25-11-10-24-49(50)57)53-43(37-14-4-2-5-15-37)21-13-22-44(53)38-16-6-3-7-17-38;/h2-28,31-34H,1H3;/q-2;
InChIKeyFAXKUSZJOMSMJO-UHFFFAOYSA-N
XLogP12.48
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.97
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-[[9-[4-(dimethylamino)-5-pyrimidin-2-yl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167568
[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(1,3-diphenyl-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)benzimidazol-2-ylidene]platinum
CID 171056859
[1-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(6-oxo-1,3-diphenyl-7,8-dihydro-5H-naphthalen-2-yl)benzimidazol-2-ylidene]platinum
CID 171056703
CID 171595915
CID 171595915
[1-[3-[[9-[5-(1-benzothiophen-7-yl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167612
[1-[3-[[9-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
CID 165167894
[1-[3-[[9-(4-tert-butyl-5-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-[4-carbazol-9-yl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804317
[1-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 171056837
[1-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-2,3-dihydro-1H-inden-5-yl]-3-[3-[[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
CID 171056911
[1-[3-[[9-[5-(4-cyclohexylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(2,4-dioxo-6,8-diphenyl-3,3a,5,9b-tetrahydro-1H-cyclopenta[a]naphthalen-7-yl)benzimidazol-2-ylidene]platinum
CID 171056712
9-[4-methyl-5-(4-methylphenyl)-2-pyridinyl]-2-[2,3,4-trideuterio-5-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 168780484
CID 171595917
CID 171595917

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 165167879) is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1cncnc1.
What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
The InChIKey is FAXKUSZJOMSMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N6O.Pt/c1-36-28-52(56-33-47(36)39-31-54-34-55-32-39)59-48-23-9-8-20-45(48)46-27-26-42(30-51(46)59)60-41-19-12-18-40(29-41)57-35-58(50-25-11-10-24-49(50)57)53-43(37-14-4-2-5-15-37)21-13-22-44(53)38-16-6-3-7-17-38;/h2-28,31-34H,1H3;/q-2;.
What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?
[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 965.97 g/mol, XLogP of 12.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-methyl-5-pyrimidin-5-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).