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+)

C62H48N4OPt — CID 154611480

IUPAC11-[[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+)
SMILESCc1cccc(C)c1-c1ccc2c(c1-c1c(C)cccc1C)c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C)cccc5C)c(-c5c(C)cccc5C)ccc3n3ccnc43)[c-]c1c1nccn21.[Pt+2]
InChIInChI=1S/C62H48N4O.Pt/c1-35-13-9-14-36(2)53(35)47-25-27-51-57(59(47)55-39(5)17-11-18-40(55)6)45-23-21-43(33-49(45)61-63-29-31-65(51)61)67-44-22-24-46-50(34-44)62-64-30-32-66(62)52-28-26-48(54-37(3)15-10-16-38(54)4)60(58(46)52)56-41(7)19-12-20-42(56)8;/h9-32H,1-8H3;/q-2;+2
InChIKeyIIWBJJBAVWVVHB-UHFFFAOYSA-N
MW1060.17 g/mol
LogP16.12
Rot. Bonds6

About 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+)

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+) (PubChem CID 154611480) has the molecular formula C62H48N4OPt and a molecular weight of 1060.17 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name11-[[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+)
PubChem CID154611480
Molecular FormulaC62H48N4OPt
Molecular Weight1060.17 g/mol
Exact Mass1059.35
IUPAC Name11-[[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+)
SMILESCc1cccc(C)c1-c1ccc2c(c1-c1c(C)cccc1C)c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C)cccc5C)c(-c5c(C)cccc5C)ccc3n3ccnc43)[c-]c1c1nccn21.[Pt+2]
InChIInChI=1S/C62H48N4O.Pt/c1-35-13-9-14-36(2)53(35)47-25-27-51-57(59(47)55-39(5)17-11-18-40(55)6)45-23-21-43(33-49(45)61-63-29-31-65(51)61)67-44-22-24-46-50(34-44)62-64-30-32-66(62)52-28-26-48(54-37(3)15-10-16-38(54)4)60(58(46)52)56-41(7)19-12-20-42(56)8;/h9-32H,1-8H3;/q-2;+2
InChIKeyIIWBJJBAVWVVHB-UHFFFAOYSA-N
XLogP16.12
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.17
LogP ≤ 516.12
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 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+) with MolForge

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Related Compounds

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
6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
CID 154611242
CID 154611242
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 154611572
CID 154611572
CID 154610651
CID 154610651
CID 154610386
CID 154610386
CID 154610891
CID 154610891
CID 154610773
CID 154610773
9-[7,8-bis(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610698
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 154610679
CID 154610679

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cccc(C)c1-c1ccc2c(c1-c1c(C)cccc1C)c1ccc(Oc3[c-]c4c(cc3)c3c(-c5c(C)cccc5C)c(-c5c(C)cccc5C)ccc3n3ccnc43)[c-]c1c1nccn21.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is IIWBJJBAVWVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48N4O.Pt/c1-35-13-9-14-36(2)53(35)47-25-27-51-57(59(47)55-39(5)17-11-18-40(55)6)45-23-21-43(33-49(45)61-63-29-31-65(51)61)67-44-22-24-46-50(34-44)62-64-30-32-66(62)52-28-26-48(54-37(3)15-10-16-38(54)4)60(58(46)52)56-41(7)19-12-20-42(56)8;/h9-32H,1-8H3;/q-2;+2.
What are the key properties of 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+)?
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+) has a molecular weight of 1060.17 g/mol, XLogP of 16.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 154611480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).