7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)

C48H33N5Pt — CID 155635849

IUPAC7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)
SMILESCc1cccc(C)c1-n1cnc(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccc(C#N)cc3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)c1.[Pt+2]
InChIInChI=1S/C48H33N5.Pt/c1-33-13-11-14-34(2)47(33)52-31-43(51-32-52)36-15-12-20-39(28-36)48(37-16-5-3-6-17-37,38-18-7-4-8-19-38)40-23-25-42-41-24-22-35(30-49)27-44(41)53(45(42)29-40)46-21-9-10-26-50-46;/h3-27,31-32H,1-2H3;/q-2;+2
InChIKeyNIFSRXVYRKAPNO-UHFFFAOYSA-N
MW874.91 g/mol
LogP10.50
Rot. Bonds7

About 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)

7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+) (PubChem CID 155635849) has the molecular formula C48H33N5Pt and a molecular weight of 874.91 g/mol. Its IUPAC name is 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+).

Molecular Properties

Compound Name7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)
PubChem CID155635849
Molecular FormulaC48H33N5Pt
Molecular Weight874.91 g/mol
Exact Mass874.24
IUPAC Name7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)
SMILESCc1cccc(C)c1-n1cnc(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccc(C#N)cc3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)c1.[Pt+2]
InChIInChI=1S/C48H33N5.Pt/c1-33-13-11-14-34(2)47(33)52-31-43(51-32-52)36-15-12-20-39(28-36)48(37-16-5-3-6-17-37,38-18-7-4-8-19-38)40-23-25-42-41-24-22-35(30-49)27-44(41)53(45(42)29-40)46-21-9-10-26-50-46;/h3-27,31-32H,1-2H3;/q-2;+2
InChIKeyNIFSRXVYRKAPNO-UHFFFAOYSA-N
XLogP10.50
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.91
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-7-[[3-[4-(2,6-diphenylphenyl)-1,2,4-triazol-3-yl]benzene-2-id-1-yl]-diphenylmethyl]-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 155635871
2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155636205
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 155623027
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
9-(4-tert-butyl-2-pyridinyl)-7-[5-[1-(2,6-diphenylphenyl)imidazol-4-yl]-2-fluorobenzene-6-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 155636291
9-(4-tert-butyl-2-pyridinyl)-2-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanophenyl]-diphenylmethyl]carbazole
CID 170513447
7-[3-tert-butyl-5-[2-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]phenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 155636000
2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 167399637
7-[3-fluoro-5-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-6-id-1-yl]oxy-9-pyridin-2-yl-8H-carbazol-8-ide-3-carbonitrile;platinum(2+)
CID 155635776
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
7-[3-[3-(2,6-dimethylphenyl)-2H-imidazol-1-ium-2-id-1-yl]phenoxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 167415079
2-(2,6-dimethylphenyl)-7-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155636022

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)?
The IUPAC name of 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+) (CID 155635849) is 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+).
What is the SMILES notation for 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)?
The canonical SMILES for 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+) is Cc1cccc(C)c1-n1cnc(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccc(C#N)cc3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)c1.[Pt+2].
What is the InChIKey of 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)?
The InChIKey is NIFSRXVYRKAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5.Pt/c1-33-13-11-14-34(2)47(33)52-31-43(51-32-52)36-15-12-20-39(28-36)48(37-16-5-3-6-17-37,38-18-7-4-8-19-38)40-23-25-42-41-24-22-35(30-49)27-44(41)53(45(42)29-40)46-21-9-10-26-50-46;/h3-27,31-32H,1-2H3;/q-2;+2.
What are the key properties of 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+)?
7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+) has a molecular weight of 874.91 g/mol, XLogP of 10.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-8H-carbazol-8-ide-2-carbonitrile;platinum(2+) is sourced from PubChem (CID 155635849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).