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[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

C31H28N4OPt-2 — CID 169066578

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2CCC(C)(C)c3ccc(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)ccc4)[c-]c32)c1
InChIInChI=1S/C31H28N4O.Pt/c1-22-14-16-32-30(18-22)34-17-15-31(2,3)26-13-12-25(20-29(26)34)36-24-9-7-8-23(19-24)35-21-33(4)27-10-5-6-11-28(27)35;/h5-14,16,18H,15,17H2,1-4H3;/q-2;
InChIKeyJCSXLDSWHRRVPJ-UHFFFAOYSA-N
MW667.67 g/mol
LogP6.96
Rot. Bonds4

About [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum

[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (PubChem CID 169066578) has the molecular formula C31H28N4OPt-2 and a molecular weight of 667.67 g/mol. Its IUPAC name is [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.

Molecular Properties

Compound Name[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
PubChem CID169066578
Molecular FormulaC31H28N4OPt-2
Molecular Weight667.67 g/mol
Exact Mass667.19
IUPAC Name[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum
SMILESCc1ccnc(N2CCC(C)(C)c3ccc(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)ccc4)[c-]c32)c1
InChIInChI=1S/C31H28N4O.Pt/c1-22-14-16-32-30(18-22)34-17-15-31(2,3)26-13-12-25(20-29(26)34)36-24-9-7-8-23(19-24)35-21-33(4)27-10-5-6-11-28(27)35;/h5-14,16,18H,15,17H2,1-4H3;/q-2;
InChIKeyJCSXLDSWHRRVPJ-UHFFFAOYSA-N
XLogP6.96
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.67
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The IUPAC name of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum (CID 169066578) is [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum.
What is the SMILES notation for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The canonical SMILES for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is Cc1ccnc(N2CCC(C)(C)c3ccc(Oc4[c-]c(-n5c(=[Pt])n(C)c6ccccc65)ccc4)[c-]c32)c1.
What is the InChIKey of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
The InChIKey is JCSXLDSWHRRVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O.Pt/c1-22-14-16-32-30(18-22)34-17-15-31(2,3)26-13-12-25(20-29(26)34)36-24-9-7-8-23(19-24)35-21-33(4)27-10-5-6-11-28(27)35;/h5-14,16,18H,15,17H2,1-4H3;/q-2;.
What are the key properties of [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum?
[1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum has a molecular weight of 667.67 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[[4,4-dimethyl-1-(4-methyl-2-pyridinyl)-3,8-dihydro-2H-quinolin-8-id-7-yl]oxy]benzene-2-id-1-yl]-3-methylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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