9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum

C60H42N6Pt-2 — CID 155614355

IUPAC9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
SMILESCC(C)c1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)cc7)c7ccccc7-c7cccnc76)ccc5)c5ccccc5-c5cccnc54)ccc3)c3ccccc3-c3cccnc32)c1.[Pt]
InChIInChI=1S/C60H42N6.Pt/c1-39(2)40-28-32-61-54(35-40)59(52-26-8-5-20-46(52)49-23-13-30-63-56(49)59)43-17-10-15-41(36-43)58(51-25-7-4-19-45(51)48-22-12-29-62-55(48)58)42-16-11-18-44(37-42)60(66-34-33-65(3)38-66)53-27-9-6-21-47(53)50-24-14-31-64-57(50)60;/h4-35,39H,1-3H3;/q-2;
InChIKeyBLLRCOMBDFIMFJ-UHFFFAOYSA-N
MW1042.12 g/mol
LogP10.96
Rot. Bonds7

About 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum

9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum (PubChem CID 155614355) has the molecular formula C60H42N6Pt-2 and a molecular weight of 1042.12 g/mol. Its IUPAC name is 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum.

Molecular Properties

Compound Name9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
PubChem CID155614355
Molecular FormulaC60H42N6Pt-2
Molecular Weight1042.12 g/mol
Exact Mass1041.31
IUPAC Name9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum
SMILESCC(C)c1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)cc7)c7ccccc7-c7cccnc76)ccc5)c5ccccc5-c5cccnc54)ccc3)c3ccccc3-c3cccnc32)c1.[Pt]
InChIInChI=1S/C60H42N6.Pt/c1-39(2)40-28-32-61-54(35-40)59(52-26-8-5-20-46(52)49-23-13-30-63-56(49)59)43-17-10-15-41(36-43)58(51-25-7-4-19-45(51)48-22-12-29-62-55(48)58)42-16-11-18-44(37-42)60(66-34-33-65(3)38-66)53-27-9-6-21-47(53)50-24-14-31-64-57(50)60;/h4-35,39H,1-3H3;/q-2;
InChIKeyBLLRCOMBDFIMFJ-UHFFFAOYSA-N
XLogP10.96
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.12
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum?
The IUPAC name of 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum (CID 155614355) is 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum.
What is the SMILES notation for 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum?
The canonical SMILES for 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum is CC(C)c1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)cc7)c7ccccc7-c7cccnc76)ccc5)c5ccccc5-c5cccnc54)ccc3)c3ccccc3-c3cccnc32)c1.[Pt].
What is the InChIKey of 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum?
The InChIKey is BLLRCOMBDFIMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N6.Pt/c1-39(2)40-28-32-61-54(35-40)59(52-26-8-5-20-46(52)49-23-13-30-63-56(49)59)43-17-10-15-41(36-43)58(51-25-7-4-19-45(51)48-22-12-29-62-55(48)58)42-16-11-18-44(37-42)60(66-34-33-65(3)38-66)53-27-9-6-21-47(53)50-24-14-31-64-57(50)60;/h4-35,39H,1-3H3;/q-2;.
What are the key properties of 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum?
9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum has a molecular weight of 1042.12 g/mol, XLogP of 10.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-9-[3-[9-[3-[9-(4-propan-2-yl-2-pyridinyl)indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridin-9-yl]benzene-2-id-1-yl]indeno[2,1-b]pyridine;platinum is sourced from PubChem (CID 155614355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).