3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)

C46H32N2Pt — CID 140824228

IUPAC3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
SMILESCC1(C)c2ccccc2C(c2cc3ccccc3c(-c3[c-]cccc3)n2)(c2cc3ccccc3c(-c3[c-]cccc3)n2)c2ccccc21.[Pt+2]
InChIInChI=1S/C46H32N2.Pt/c1-45(2)37-25-13-15-27-39(37)46(40-28-16-14-26-38(40)45,41-29-33-21-9-11-23-35(33)43(47-41)31-17-5-3-6-18-31)42-30-34-22-10-12-24-36(34)44(48-42)32-19-7-4-8-20-32;/h3-17,19,21-30H,1-2H3;/q-2;+2
InChIKeyUYINHANDXTUFLU-UHFFFAOYSA-N
MW807.85 g/mol
LogP10.74
Rot. Bonds4

About 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)

3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) (PubChem CID 140824228) has the molecular formula C46H32N2Pt and a molecular weight of 807.85 g/mol. Its IUPAC name is 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+).

Molecular Properties

Compound Name3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
PubChem CID140824228
Molecular FormulaC46H32N2Pt
Molecular Weight807.85 g/mol
Exact Mass807.22
IUPAC Name3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)
SMILESCC1(C)c2ccccc2C(c2cc3ccccc3c(-c3[c-]cccc3)n2)(c2cc3ccccc3c(-c3[c-]cccc3)n2)c2ccccc21.[Pt+2]
InChIInChI=1S/C46H32N2.Pt/c1-45(2)37-25-13-15-27-39(37)46(40-28-16-14-26-38(40)45,41-29-33-21-9-11-23-35(33)43(47-41)31-17-5-3-6-18-31)42-30-34-22-10-12-24-36(34)44(48-42)32-19-7-4-8-20-32;/h3-17,19,21-30H,1-2H3;/q-2;+2
InChIKeyUYINHANDXTUFLU-UHFFFAOYSA-N
XLogP10.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.85
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) with MolForge

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Related Compounds

CID 59865379
CID 59865379
iridium;1-phenyl-3-propylisoquinoline
CID 58850587
iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;1-phenyl-3-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]isoquinoline
CID 170514254
CID 160900538
CID 160900538
iridium;3-[(9S)-9-(3-methyl-2H-imidazol-2-id-1-yl)-1H-fluoren-1-id-9-yl]-1-phenylisoquinoline;1-phenylisoquinoline
CID 170514294
3,3-dimethyl-2-phenylindole;iridium
CID 21014664
bis(2-(9,9-dimethylfluoren-2-yl)-7-ethyl-9,9-dimethylfluorene);4-hydroxypent-3-en-2-one;iridium;bis(1-phenylisoquinoline)
CID 159758590
CID 140824257
CID 140824257
2-[2,7-diphenyl-9-(6-phenyl-2-pyridinyl)thioxanthen-9-yl]-6-phenylpyridine;platinum(2+)
CID 140824206
CID 59865388
CID 59865388
tert-butyl-[2-[C-tert-butyl-N-[(1-phenylisoquinolin-3-yl)methyl]carbonimidoyl]phenyl]azanide;platinum(2+)
CID 164739866
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-phenylpyrazine;iridium;pentane-2,4-diol
CID 58991473

Frequently Asked Questions

What is the IUPAC name of 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)?
The IUPAC name of 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) (CID 140824228) is 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+).
What is the SMILES notation for 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)?
The canonical SMILES for 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) is CC1(C)c2ccccc2C(c2cc3ccccc3c(-c3[c-]cccc3)n2)(c2cc3ccccc3c(-c3[c-]cccc3)n2)c2ccccc21.[Pt+2].
What is the InChIKey of 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)?
The InChIKey is UYINHANDXTUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2.Pt/c1-45(2)37-25-13-15-27-39(37)46(40-28-16-14-26-38(40)45,41-29-33-21-9-11-23-35(33)43(47-41)31-17-5-3-6-18-31)42-30-34-22-10-12-24-36(34)44(48-42)32-19-7-4-8-20-32;/h3-17,19,21-30H,1-2H3;/q-2;+2.
What are the key properties of 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+)?
3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) has a molecular weight of 807.85 g/mol, XLogP of 10.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10,10-dimethyl-9-(1-phenylisoquinolin-3-yl)anthracen-9-yl]-1-phenylisoquinoline;platinum(2+) is sourced from PubChem (CID 140824228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).