5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C38H32N4OPt — CID 154610272

IUPAC5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCC(C)(C)c1cccc2c3ccc(Oc4[c-]c5c(cc4)c4cccc(C(C)(C)C)c4n4ccnc54)[c-]c3c3nccn3c12.[Pt+2]
InChIInChI=1S/C38H32N4O.Pt/c1-37(2,3)31-11-7-9-27-25-15-13-23(21-29(25)35-39-17-19-41(35)33(27)31)43-24-14-16-26-28-10-8-12-32(38(4,5)6)34(28)42-20-18-40-36(42)30(26)22-24;/h7-20H,1-6H3;/q-2;+2
InChIKeySTYHOPRXDJIISG-UHFFFAOYSA-N
MW755.78 g/mol
LogP9.58
Rot. Bonds2

About 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154610272) has the molecular formula C38H32N4OPt and a molecular weight of 755.78 g/mol. Its IUPAC name is 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
PubChem CID154610272
Molecular FormulaC38H32N4OPt
Molecular Weight755.78 g/mol
Exact Mass755.22
IUPAC Name5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCC(C)(C)c1cccc2c3ccc(Oc4[c-]c5c(cc4)c4cccc(C(C)(C)C)c4n4ccnc54)[c-]c3c3nccn3c12.[Pt+2]
InChIInChI=1S/C38H32N4O.Pt/c1-37(2,3)31-11-7-9-27-25-15-13-23(21-29(25)35-39-17-19-41(35)33(27)31)43-24-14-16-26-28-10-8-12-32(38(4,5)6)34(28)42-20-18-40-36(42)30(26)22-24;/h7-20H,1-6H3;/q-2;+2
InChIKeySTYHOPRXDJIISG-UHFFFAOYSA-N
XLogP9.58
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.78
LogP ≤ 59.58
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'}

Analyze 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;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

Related Compounds

5-tert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610586
6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611149
5-tert-butyl-11-(5-tert-butylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610273
11-[[5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-5,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611612
5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611397
CID 154610651
CID 154610651
7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611664
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611497
CID 154610773
CID 154610773
CID 154611242
CID 154611242
CID 162487202
CID 162487202
11-[[7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-7,8-bis(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611480

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154610272) is 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is CC(C)(C)c1cccc2c3ccc(Oc4[c-]c5c(cc4)c4cccc(C(C)(C)C)c4n4ccnc54)[c-]c3c3nccn3c12.[Pt+2].
What is the InChIKey of 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is STYHOPRXDJIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N4O.Pt/c1-37(2,3)31-11-7-9-27-25-15-13-23(21-29(25)35-39-17-19-41(35)33(27)31)43-24-14-16-26-28-10-8-12-32(38(4,5)6)34(28)42-20-18-40-36(42)30(26)22-24;/h7-20H,1-6H3;/q-2;+2.
What are the key properties of 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 755.78 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11-[(5-tert-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 154610272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).