acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)

C80H54N8O4Pt — CID 163880827

IUPACacetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)
SMILESCC(=O)O.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c2n1.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c2n1.[Pt+2]
InChIInChI=1S/C39H26N4O.C39H24N4O.C2H4O2.Pt/c2*1-25-10-2-3-11-28(25)34-24-42-35-14-6-4-12-30(35)29-19-17-26(22-33(29)39(42)41-34)44-27-18-20-32-31-13-5-7-15-36(31)43(37(32)23-27)38-16-8-9-21-40-38;1-2(3)4;/h2-24H,1H3;2-21,24H,1H3;1H3,(H,3,4);/q;-2;;+2
InChIKeyPJTQTOFSLFETSL-UHFFFAOYSA-N
MW1386.44 g/mol
LogP19.49
Rot. Bonds8

About acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)

acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) (PubChem CID 163880827) has the molecular formula C80H54N8O4Pt and a molecular weight of 1386.44 g/mol. Its IUPAC name is acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+).

Molecular Properties

Compound Nameacetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)
PubChem CID163880827
Molecular FormulaC80H54N8O4Pt
Molecular Weight1386.44 g/mol
Exact Mass1385.39
IUPAC Nameacetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)
SMILESCC(=O)O.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c2n1.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c2n1.[Pt+2]
InChIInChI=1S/C39H26N4O.C39H24N4O.C2H4O2.Pt/c2*1-25-10-2-3-11-28(25)34-24-42-35-14-6-4-12-30(35)29-19-17-26(22-33(29)39(42)41-34)44-27-18-20-32-31-13-5-7-15-36(31)43(37(32)23-27)38-16-8-9-21-40-38;1-2(3)4;/h2-24H,1H3;2-21,24H,1H3;1H3,(H,3,4);/q;-2;;+2
InChIKeyPJTQTOFSLFETSL-UHFFFAOYSA-N
XLogP19.49
TPSA126.00 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms93
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.44
LogP ≤ 519.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)?
The IUPAC name of acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) (CID 163880827) is acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+).
What is the SMILES notation for acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)?
The canonical SMILES for acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) is CC(=O)O.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)[c-]c3c2n1.Cc1ccccc1-c1cn2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc3c2n1.[Pt+2].
What is the InChIKey of acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)?
The InChIKey is PJTQTOFSLFETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O.C39H24N4O.C2H4O2.Pt/c2*1-25-10-2-3-11-28(25)34-24-42-35-14-6-4-12-30(35)29-19-17-26(22-33(29)39(42)41-34)44-27-18-20-32-31-13-5-7-15-36(31)43(37(32)23-27)38-16-8-9-21-40-38;1-2(3)4;/h2-24H,1H3;2-21,24H,1H3;1H3,(H,3,4);/q;-2;;+2.
What are the key properties of acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+)?
acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) has a molecular weight of 1386.44 g/mol, XLogP of 19.49, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-methylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(2-methylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine;platinum(2+) is sourced from PubChem (CID 163880827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).