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+)

C40H34N4OPt — CID 154611664

IUPAC7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nccn21.[Pt+2]
InChIInChI=1S/C40H34N4O.Pt/c1-39(2,3)31-18-19-33-36(37(31)40(4,5)6)29-17-15-25(23-30(29)38-42-21-22-43(33)38)45-26-14-16-28-27-11-7-8-12-32(27)44(34(28)24-26)35-13-9-10-20-41-35;/h7-22H,1-6H3;/q-2;+2
InChIKeyIPEJRRFZVDRIDL-UHFFFAOYSA-N
MW781.82 g/mol
LogP10.12
Rot. Bonds3

About 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+)

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+) (PubChem CID 154611664) has the molecular formula C40H34N4OPt and a molecular weight of 781.82 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
PubChem CID154611664
Molecular FormulaC40H34N4OPt
Molecular Weight781.82 g/mol
Exact Mass781.24
IUPAC Name7,8-ditert-butyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILESCC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nccn21.[Pt+2]
InChIInChI=1S/C40H34N4O.Pt/c1-39(2,3)31-18-19-33-36(37(31)40(4,5)6)29-17-15-25(23-30(29)38-42-21-22-43(33)38)45-26-14-16-28-27-11-7-8-12-32(27)44(34(28)24-26)35-13-9-10-20-41-35;/h7-22H,1-6H3;/q-2;+2
InChIKeyIPEJRRFZVDRIDL-UHFFFAOYSA-N
XLogP10.12
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.82
LogP ≤ 510.12
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 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+) with MolForge

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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
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
CID 154610691
CID 154610691
CID 162487067
CID 162487067
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 154610967
CID 154610967
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
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-butyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610272
CID 154611166
CID 154611166
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411656

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1ccc2c(c1C(C)(C)C)c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nccn21.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is IPEJRRFZVDRIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N4O.Pt/c1-39(2,3)31-18-19-33-36(37(31)40(4,5)6)29-17-15-25(23-30(29)38-42-21-22-43(33)38)45-26-14-16-28-27-11-7-8-12-32(27)44(34(28)24-26)35-13-9-10-20-41-35;/h7-22H,1-6H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 781.82 g/mol, XLogP of 10.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 154611664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).