7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum

C41H29N6OPt- — CID 171750115

IUPAC7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum
SMILESCN(C)c1ccc(-c2cc(-c3[c-]c(-c4cc5ccccc5nn4)cc(-c4ccccc4)c3)nc(-c3cc4nccnc4cc3O)c2)cc1.[Pt]
InChIInChI=1S/C41H29N6O.Pt/c1-47(2)33-14-12-27(13-15-33)30-22-36(44-38(23-30)34-24-39-40(25-41(34)48)43-17-16-42-39)31-18-29(26-8-4-3-5-9-26)19-32(20-31)37-21-28-10-6-7-11-35(28)45-46-37;/h3-19,21-25,48H,1-2H3;/q-1;
InChIKeyZEMLNXUYRLERPF-UHFFFAOYSA-N
MW816.80 g/mol
LogP8.87
Rot. Bonds6

About 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum

7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum (PubChem CID 171750115) has the molecular formula C41H29N6OPt- and a molecular weight of 816.80 g/mol. Its IUPAC name is 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum.

Molecular Properties

Compound Name7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum
PubChem CID171750115
Molecular FormulaC41H29N6OPt-
Molecular Weight816.80 g/mol
Exact Mass816.21
IUPAC Name7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum
SMILESCN(C)c1ccc(-c2cc(-c3[c-]c(-c4cc5ccccc5nn4)cc(-c4ccccc4)c3)nc(-c3cc4nccnc4cc3O)c2)cc1.[Pt]
InChIInChI=1S/C41H29N6O.Pt/c1-47(2)33-14-12-27(13-15-33)30-22-36(44-38(23-30)34-24-39-40(25-41(34)48)43-17-16-42-39)31-18-29(26-8-4-3-5-9-26)19-32(20-31)37-21-28-10-6-7-11-35(28)45-46-37;/h3-19,21-25,48H,1-2H3;/q-1;
InChIKeyZEMLNXUYRLERPF-UHFFFAOYSA-N
XLogP8.87
TPSA87.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.80
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum
CID 171750129
2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742424
2-[6-[3-[4-(4-tert-butylphenyl)-2-pyridinyl]benzene-2-id-1-yl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol;platinum
CID 162471850
2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304045
iridium;2-[3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]pyridine;2-[6-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenol
CID 171438625
2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164742249
N,N-dimethylaniline;quinoline
CID 70437285
4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 129140985
4-[2,6-bis(2-butoxyphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 15375140
4-(2,6-diphenyl-4-pyridinyl)phenol
CID 4640455
2-[6-[3-[3-(9,9-dimethylfluoren-2-yl)imidazo[1,2-a]pyridin-2-yl]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 169318258
2-[6-[3-[naphthalen-1-yl-(4-phenyl-2-pyridinyl)amino]benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304079

Frequently Asked Questions

What is the IUPAC name of 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum?
The IUPAC name of 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum (CID 171750115) is 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum.
What is the SMILES notation for 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum?
The canonical SMILES for 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum is CN(C)c1ccc(-c2cc(-c3[c-]c(-c4cc5ccccc5nn4)cc(-c4ccccc4)c3)nc(-c3cc4nccnc4cc3O)c2)cc1.[Pt].
What is the InChIKey of 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum?
The InChIKey is ZEMLNXUYRLERPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N6O.Pt/c1-47(2)33-14-12-27(13-15-33)30-22-36(44-38(23-30)34-24-39-40(25-41(34)48)43-17-16-42-39)31-18-29(26-8-4-3-5-9-26)19-32(20-31)37-21-28-10-6-7-11-35(28)45-46-37;/h3-19,21-25,48H,1-2H3;/q-1;.
What are the key properties of 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum?
7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum has a molecular weight of 816.80 g/mol, XLogP of 8.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-4-[4-(dimethylamino)phenyl]-2-pyridinyl]quinoxalin-6-ol;platinum is sourced from PubChem (CID 171750115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).