9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)

C57H44N4O3Pt — CID 140824232

IUPAC9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)c1cc(C(C)(C)C)ccc1O2.[Pt+2]
InChIInChI=1S/C57H44N4O3.Pt/c1-55(2,3)35-23-27-49-45(33-35)57(46-34-36(56(4,5)6)24-28-50(46)64-49,37-21-25-41-43(31-37)51-47(19-13-29-58-51)60(53(41)62)39-15-9-7-10-16-39)38-22-26-42-44(32-38)52-48(20-14-30-59-52)61(54(42)63)40-17-11-8-12-18-40;/h7-30,33-34H,1-6H3;/q-2;+2
InChIKeyBXOTZYKFPRGJNO-UHFFFAOYSA-N
MW1028.08 g/mol
LogP12.07
Rot. Bonds4

About 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)

9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) (PubChem CID 140824232) has the molecular formula C57H44N4O3Pt and a molecular weight of 1028.08 g/mol. Its IUPAC name is 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+).

Molecular Properties

Compound Name9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)
PubChem CID140824232
Molecular FormulaC57H44N4O3Pt
Molecular Weight1028.08 g/mol
Exact Mass1027.31
IUPAC Name9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)c1cc(C(C)(C)C)ccc1O2.[Pt+2]
InChIInChI=1S/C57H44N4O3.Pt/c1-55(2,3)35-23-27-49-45(33-35)57(46-34-36(56(4,5)6)24-28-50(46)64-49,37-21-25-41-43(31-37)51-47(19-13-29-58-51)60(53(41)62)39-15-9-7-10-16-39)38-22-26-42-44(32-38)52-48(20-14-30-59-52)61(54(42)63)40-17-11-8-12-18-40;/h7-30,33-34H,1-6H3;/q-2;+2
InChIKeyBXOTZYKFPRGJNO-UHFFFAOYSA-N
XLogP12.07
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.08
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) with MolForge

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Related Compounds

8-[4-[3-Phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544215
8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544238
5-[3-[4-[5-Tert-butyl-2-(2-methylbutan-2-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 70882390
5-[3-[4-[5-(2-Methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 70882508
5-[3-[4-[5-(3-Methylpentan-3-yl)-2-(3-methylpentan-3-yloxy)-3-phenylphenyl]phenyl]-5-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole
CID 70882570
9-[5-[8-(2,6-Diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole
CID 89433773
3-[7-[5-[9,9-Dimethyl-7-(9-phenylcarbazol-3-yl)xanthen-2-yl]-2-pyridinyl]-9,9-dimethylxanthen-2-yl]-9-phenylcarbazole
CID 89909641
4-[3-(2,6,8-Trimethyldibenzofuran-4-yl)phenyl]-2-[4-[3-(2,6,8-trimethyldibenzofuran-4-yl)phenyl]-2-pyridinyl]pyridine
CID 117826329
4-[3-(2,8-Dimethyldibenzofuran-4-yl)phenyl]-2-[4-[3-(2,8-dimethyldibenzofuran-4-yl)phenyl]-2-pyridinyl]pyridine
CID 117826335
4-[3-(6-Tert-butyldibenzofuran-4-yl)phenyl]-2-[4-[3-(6-tert-butyldibenzofuran-4-yl)phenyl]-2-pyridinyl]pyridine
CID 117826347
4-[3-(2,8-Diphenyldibenzofuran-4-yl)phenyl]-2-[4-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]-2-pyridinyl]pyridine
CID 117826395
2-[5-[9,9-Dimethyl-7-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]xanthen-2-yl]-2-pyridinyl]-1-methylbenzimidazole
CID 118055783

Frequently Asked Questions

What is the IUPAC name of 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)?
The IUPAC name of 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) (CID 140824232) is 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+).
What is the SMILES notation for 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)?
The canonical SMILES for 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) is CC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)(c1[c-]c3c(cc1)c(=O)n(-c1ccccc1)c1cccnc31)c1cc(C(C)(C)C)ccc1O2.[Pt+2].
What is the InChIKey of 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)?
The InChIKey is BXOTZYKFPRGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4O3.Pt/c1-55(2,3)35-23-27-49-45(33-35)57(46-34-36(56(4,5)6)24-28-50(46)64-49,37-21-25-41-43(31-37)51-47(19-13-29-58-51)60(53(41)62)39-15-9-7-10-16-39)38-22-26-42-44(32-38)52-48(20-14-30-59-52)61(54(42)63)40-17-11-8-12-18-40;/h7-30,33-34H,1-6H3;/q-2;+2.
What are the key properties of 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+)?
9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) has a molecular weight of 1028.08 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,7-ditert-butyl-9-(6-oxo-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-9-yl)xanthen-9-yl]-5-phenyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one;platinum(2+) is sourced from PubChem (CID 140824232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).