4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum

C63H45N3Pt-2 — CID 155614279

IUPAC4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
SMILESCc1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)c(C)c7C)c7ccccc7-c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3)c3ccccc3-c3ccccc32)c1.[Pt]
InChIInChI=1S/C63H45N3.Pt/c1-41-35-36-64-60(37-41)62(56-31-13-7-25-50(56)51-26-8-14-32-57(51)62)46-21-17-19-44(38-46)61(54-29-11-5-23-48(54)49-24-6-12-30-55(49)61)45-20-18-22-47(39-45)63(66-40-65(4)42(2)43(66)3)58-33-15-9-27-52(58)53-28-10-16-34-59(53)63;/h5-37H,1-4H3;/q-2;
InChIKeyZWACTBSTQYIZFQ-UHFFFAOYSA-N
MW1039.15 g/mol
LogP12.58
Rot. Bonds6

About 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum

4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum (PubChem CID 155614279) has the molecular formula C63H45N3Pt-2 and a molecular weight of 1039.15 g/mol. Its IUPAC name is 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum.

Molecular Properties

Compound Name4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
PubChem CID155614279
Molecular FormulaC63H45N3Pt-2
Molecular Weight1039.15 g/mol
Exact Mass1038.33
IUPAC Name4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
SMILESCc1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)c(C)c7C)c7ccccc7-c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3)c3ccccc3-c3ccccc32)c1.[Pt]
InChIInChI=1S/C63H45N3.Pt/c1-41-35-36-64-60(37-41)62(56-31-13-7-25-50(56)51-26-8-14-32-57(51)62)46-21-17-19-44(38-46)61(54-29-11-5-23-48(54)49-24-6-12-30-55(49)61)45-20-18-22-47(39-45)63(66-40-65(4)42(2)43(66)3)58-33-15-9-27-52(58)53-28-10-16-34-59(53)63;/h5-37H,1-4H3;/q-2;
InChIKeyZWACTBSTQYIZFQ-UHFFFAOYSA-N
XLogP12.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms67
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.15
LogP ≤ 512.58
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 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?
The IUPAC name of 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum (CID 155614279) is 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum.
What is the SMILES notation for 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?
The canonical SMILES for 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum is Cc1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)c(C)c7C)c7ccccc7-c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3)c3ccccc3-c3ccccc32)c1.[Pt].
What is the InChIKey of 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?
The InChIKey is ZWACTBSTQYIZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3.Pt/c1-41-35-36-64-60(37-41)62(56-31-13-7-25-50(56)51-26-8-14-32-57(51)62)46-21-17-19-44(38-46)61(54-29-11-5-23-48(54)49-24-6-12-30-55(49)61)45-20-18-22-47(39-45)63(66-40-65(4)42(2)43(66)3)58-33-15-9-27-52(58)53-28-10-16-34-59(53)63;/h5-37H,1-4H3;/q-2;.
What are the key properties of 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?
4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum has a molecular weight of 1039.15 g/mol, XLogP of 12.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum is sourced from PubChem (CID 155614279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).