3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C43H32N4OPt — CID 140709664

IUPAC3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCc1cccc(C)c1-c1cnc2c3[c-]c(N4c5[c-]c(Oc6ccccn6)ccc5C(C)(C)c5ccccc54)ccc3c3ccccc3n12.[Pt+2]
InChIInChI=1S/C43H32N4O.Pt/c1-27-12-11-13-28(2)41(27)39-26-45-42-33-24-29(19-21-31(33)32-14-5-7-16-36(32)47(39)42)46-37-17-8-6-15-34(37)43(3,4)35-22-20-30(25-38(35)46)48-40-18-9-10-23-44-40;/h5-23,26H,1-4H3;/q-2;+2
InChIKeyZQIFUXGOUBRXDU-UHFFFAOYSA-N
MW815.83 g/mol
LogP10.82
Rot. Bonds4

About 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 140709664) has the molecular formula C43H32N4OPt and a molecular weight of 815.83 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
PubChem CID140709664
Molecular FormulaC43H32N4OPt
Molecular Weight815.83 g/mol
Exact Mass815.22
IUPAC Name3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCc1cccc(C)c1-c1cnc2c3[c-]c(N4c5[c-]c(Oc6ccccn6)ccc5C(C)(C)c5ccccc54)ccc3c3ccccc3n12.[Pt+2]
InChIInChI=1S/C43H32N4O.Pt/c1-27-12-11-13-28(2)41(27)39-26-45-42-33-24-29(19-21-31(33)32-14-5-7-16-36(32)47(39)42)46-37-17-8-6-15-34(37)43(3,4)35-22-20-30(25-38(35)46)48-40-18-9-10-23-44-40;/h5-23,26H,1-4H3;/q-2;+2
InChIKeyZQIFUXGOUBRXDU-UHFFFAOYSA-N
XLogP10.82
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.83
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 140709664) is 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1cccc(C)c1-c1cnc2c3[c-]c(N4c5[c-]c(Oc6ccccn6)ccc5C(C)(C)c5ccccc54)ccc3c3ccccc3n12.[Pt+2].
What is the InChIKey of 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is ZQIFUXGOUBRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N4O.Pt/c1-27-12-11-13-28(2)41(27)39-26-45-42-33-24-29(19-21-31(33)32-14-5-7-16-36(32)47(39)42)46-37-17-8-6-15-34(37)43(3,4)35-22-20-30(25-38(35)46)48-40-18-9-10-23-44-40;/h5-23,26H,1-4H3;/q-2;+2.
What are the key properties of 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 815.83 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-11-(9,9-dimethyl-3-pyridin-2-yloxy-4H-acridin-4-id-10-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 140709664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).