2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum

C39H26N3O2Pt- — CID 166511793

IUPAC2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILESCOc1cc(-c2ccccc2O)nc(C2(c3[c-]c(-c4cnc5ccccc5n4)ccc3)c3ccccc3-c3ccccc32)c1.[Pt]
InChIInChI=1S/C39H26N3O2.Pt/c1-44-27-22-35(30-15-4-9-20-37(30)43)42-38(23-27)39(31-16-5-2-13-28(31)29-14-3-6-17-32(29)39)26-12-10-11-25(21-26)36-24-40-33-18-7-8-19-34(33)41-36;/h2-20,22-24,43H,1H3;/q-1;
InChIKeyJZLNZQLYRIZYOF-UHFFFAOYSA-N
MW763.73 g/mol
LogP8.23
Rot. Bonds5

About 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum

2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum (PubChem CID 166511793) has the molecular formula C39H26N3O2Pt- and a molecular weight of 763.73 g/mol. Its IUPAC name is 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
PubChem CID166511793
Molecular FormulaC39H26N3O2Pt-
Molecular Weight763.73 g/mol
Exact Mass763.17
IUPAC Name2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILESCOc1cc(-c2ccccc2O)nc(C2(c3[c-]c(-c4cnc5ccccc5n4)ccc3)c3ccccc3-c3ccccc32)c1.[Pt]
InChIInChI=1S/C39H26N3O2.Pt/c1-44-27-22-35(30-15-4-9-20-37(30)43)42-38(23-27)39(31-16-5-2-13-28(31)29-14-3-6-17-32(29)39)26-12-10-11-25(21-26)36-24-40-33-18-7-8-19-34(33)41-36;/h2-20,22-24,43H,1H3;/q-1;
InChIKeyJZLNZQLYRIZYOF-UHFFFAOYSA-N
XLogP8.23
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.73
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511894
2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511806
2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511882
platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol
CID 166511770
CID 163791433
CID 163791433
2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
CID 153429132
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum
CID 166511739
2-[9-[3-[9-[3-[9-(3,4-dimethyl-2H-imidazol-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 176592361
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;platinum(2+)
CID 162461898
2-[9-(2,6-dihydroxyphenyl)fluoren-9-yl]benzene-1,3-diol
CID 139891134
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum (CID 166511793) is 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum is COc1cc(-c2ccccc2O)nc(C2(c3[c-]c(-c4cnc5ccccc5n4)ccc3)c3ccccc3-c3ccccc32)c1.[Pt].
What is the InChIKey of 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is JZLNZQLYRIZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N3O2.Pt/c1-44-27-22-35(30-15-4-9-20-37(30)43)42-38(23-27)39(31-16-5-2-13-28(31)29-14-3-6-17-32(29)39)26-12-10-11-25(21-26)36-24-40-33-18-7-8-19-34(33)41-36;/h2-20,22-24,43H,1H3;/q-1;.
What are the key properties of 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum?
2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 763.73 g/mol, XLogP of 8.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 166511793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).