1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)

C41H32N3Pt+ — CID 171732606

IUPAC1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)
SMILESCC(C)(C)c1cccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)c1.[Pt+4].[c-]1ccccc1-n1c2[c-]cccc2c2ccccc21
InChIInChI=1S/C23H21N2.C18H11N.Pt/c1-23(2,3)18-10-9-13-20(16-18)25-17-24(19-11-5-4-6-12-19)21-14-7-8-15-22(21)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h4-11,13-16H,1-3H3;1-8,10-12H;/q-1;-2;+4
InChIKeyNASFBVREWVYGEG-UHFFFAOYSA-N
MW761.81 g/mol
LogP9.19
Rot. Bonds3

About 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)

1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) (PubChem CID 171732606) has the molecular formula C41H32N3Pt+ and a molecular weight of 761.81 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+).

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)
PubChem CID171732606
Molecular FormulaC41H32N3Pt+
Molecular Weight761.81 g/mol
Exact Mass761.22
IUPAC Name1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)
SMILESCC(C)(C)c1cccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)c1.[Pt+4].[c-]1ccccc1-n1c2[c-]cccc2c2ccccc21
InChIInChI=1S/C23H21N2.C18H11N.Pt/c1-23(2,3)18-10-9-13-20(16-18)25-17-24(19-11-5-4-6-12-19)21-14-7-8-15-22(21)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h4-11,13-16H,1-3H3;1-8,10-12H;/q-1;-2;+4
InChIKeyNASFBVREWVYGEG-UHFFFAOYSA-N
XLogP9.19
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.81
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-14-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;platinum
CID 165164157
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 170517399
CID 171732605
CID 171732605
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(3,4-dimethylphenyl)carbazole
CID 168831386
3-[2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-dideuteriomethyl]-1H-carbazol-1-id-9-yl]-8-phenyl-[1]benzofuro[2,3-c]pyridine;platinum
CID 171416074
9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;iridium;1-phenyl-3-phenylbenzimidazol-2-one
CID 164928440
CID 171732575
CID 171732575
CID 171732590
CID 171732590
2-[3-[3-[2,6-bis(3-tert-butylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171426542
CID 170930505
CID 170930505
2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 164727470
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4,6-tritert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 171427704

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)?
The IUPAC name of 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) (CID 171732606) is 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+).
What is the SMILES notation for 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)?
The canonical SMILES for 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) is CC(C)(C)c1cccc(-[n+]2[c-]n(-c3[c-]cccc3)c3ccccc32)c1.[Pt+4].[c-]1ccccc1-n1c2[c-]cccc2c2ccccc21.
What is the InChIKey of 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)?
The InChIKey is NASFBVREWVYGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N2.C18H11N.Pt/c1-23(2,3)18-10-9-13-20(16-18)25-17-24(19-11-5-4-6-12-19)21-14-7-8-15-22(21)25;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;/h4-11,13-16H,1-3H3;1-8,10-12H;/q-1;-2;+4.
What are the key properties of 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+)?
1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) has a molecular weight of 761.81 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-3-phenyl-2H-benzimidazol-1-ium-2-ide;9-phenyl-1H-carbazol-1-ide;platinum(4+) is sourced from PubChem (CID 171732606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).