5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum

C76H104N2O4Pt2S-2 — CID 171419753

About 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum

5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum (PubChem CID 171419753) has the molecular formula C76H104N2O4Pt2S-2 and a molecular weight of 1531.90 g/mol. Its IUPAC name is 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum.

Molecular Properties

• Compound Name: 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum
• PubChem CID: 171419753
• Molecular Formula: C76H104N2O4Pt2S-2
• Molecular Weight: 1531.90 g/mol
• Exact Mass: 1530.70
• IUPAC Name: 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c2ccc(-c3[c-]ccc4c3sc3c(-c5ccc6c(C(C)(C)C)cc(C(C)(C)C)cc6n5)[c-]ccc34)nc2c1.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.[Pt].[Pt]
• InChI: InChI=1S/C46H48N2S.2C15H28O2.2Pt/c1-43(2,3)27-23-35(45(7,8)9)31-19-21-37(47-39(31)25-27)33-17-13-15-29-30-16-14-18-34(42(30)49-41(29)33)38-22-20-32-36(46(10,11)12)24-28(44(4,5)6)26-40(32)48-38;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;/h13-16,19-26H,1-12H3;2*11,16H,7-10H2,1-6H3;;/q-2;;;;/b;2*12-11-
• InChIKey: MSXFXAXIAGTATG-WGMGOWLESA-N
• XLogP: 22.57
• TPSA: 100.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1531.90
LogP ≤ 5	22.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum?

The IUPAC name of 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum (CID 171419753) is 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum.

What is the SMILES notation for 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum?

The canonical SMILES for 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum is CC(C)(C)c1cc(C(C)(C)C)c2ccc(-c3[c-]ccc4c3sc3c(-c5ccc6c(C(C)(C)C)cc(C(C)(C)C)cc6n5)[c-]ccc34)nc2c1.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.CCC(C)(CC)C(=O)/C=C(\O)C(C)(CC)CC.[Pt].[Pt].

What is the InChIKey of 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum?

The InChIKey is MSXFXAXIAGTATG-WGMGOWLESA-N. The full InChI is InChI=1S/C46H48N2S.2C15H28O2.2Pt/c1-43(2,3)27-23-35(45(7,8)9)31-19-21-37(47-39(31)25-27)33-17-13-15-29-30-16-14-18-34(42(30)49-41(29)33)38-22-20-32-36(46(10,11)12)24-28(44(4,5)6)26-40(32)48-38;2*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;/h13-16,19-26H,1-12H3;2*11,16H,7-10H2,1-6H3;;/q-2;;;;/b;2*12-11-;;.

What are the key properties of 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum?

5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum has a molecular weight of 1531.90 g/mol, XLogP of 22.57, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-ditert-butyl-2-[6-(5,7-ditert-butylquinolin-2-yl)-3,7-dihydrodibenzothiophene-3,7-diid-4-yl]quinoline;bis((Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);platinum is sourced from PubChem (CID 171419753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).