7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum

C55H38F6N3O4Pt- — CID 59359359

IUPAC7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
SMILESCCC(C)COc1ccc(/C(C(=O)C(F)(F)F)=C(/O)C(F)(F)F)cc1.[Pt].[c-]1cccc2c1c1nccn1c1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21
InChIInChI=1S/C39H22N3O.C16H16F6O3.Pt/c1-2-10-30-27(7-1)31-21-24(13-16-34(31)41-20-19-40-39(30)41)25-14-17-37-32(22-25)33-23-26(15-18-38(33)43-37)42-35-11-5-3-8-28(35)29-9-4-6-12-36(29)42;1-3-9(2)8-25-11-6-4-10(5-7-11)12(13(23)15(17,18)19)14(24)16(20,21)22;/h1-9,11-23H;4-7,9,23H,3,8H2,1-2H3;/q-1;;/b;13-12-;
InChIKeyNMHLWYOZOGWFIO-LQELOGDWSA-N
MW1113.99 g/mol
LogP15.18
Rot. Bonds8

About 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum

7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum (PubChem CID 59359359) has the molecular formula C55H38F6N3O4Pt- and a molecular weight of 1113.99 g/mol. Its IUPAC name is 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum.

Molecular Properties

Compound Name7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
PubChem CID59359359
Molecular FormulaC55H38F6N3O4Pt-
Molecular Weight1113.99 g/mol
Exact Mass1113.24
IUPAC Name7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
SMILESCCC(C)COc1ccc(/C(C(=O)C(F)(F)F)=C(/O)C(F)(F)F)cc1.[Pt].[c-]1cccc2c1c1nccn1c1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21
InChIInChI=1S/C39H22N3O.C16H16F6O3.Pt/c1-2-10-30-27(7-1)31-21-24(13-16-34(31)41-20-19-40-39(30)41)25-14-17-37-32(22-25)33-23-26(15-18-38(33)43-37)42-35-11-5-3-8-28(35)29-9-4-6-12-36(29)42;1-3-9(2)8-25-11-6-4-10(5-7-11)12(13(23)15(17,18)19)14(24)16(20,21)22;/h1-9,11-23H;4-7,9,23H,3,8H2,1-2H3;/q-1;;/b;13-12-;
InChIKeyNMHLWYOZOGWFIO-LQELOGDWSA-N
XLogP15.18
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.99
LogP ≤ 515.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum with MolForge

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Related Compounds

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7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
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Frequently Asked Questions

What is the IUPAC name of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum?
The IUPAC name of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum (CID 59359359) is 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum.
What is the SMILES notation for 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum?
The canonical SMILES for 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum is CCC(C)COc1ccc(/C(C(=O)C(F)(F)F)=C(/O)C(F)(F)F)cc1.[Pt].[c-]1cccc2c1c1nccn1c1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21.
What is the InChIKey of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum?
The InChIKey is NMHLWYOZOGWFIO-LQELOGDWSA-N. The full InChI is InChI=1S/C39H22N3O.C16H16F6O3.Pt/c1-2-10-30-27(7-1)31-21-24(13-16-34(31)41-20-19-40-39(30)41)25-14-17-37-32(22-25)33-23-26(15-18-38(33)43-37)42-35-11-5-3-8-28(35)29-9-4-6-12-36(29)42;1-3-9(2)8-25-11-6-4-10(5-7-11)12(13(23)15(17,18)19)14(24)16(20,21)22;/h1-9,11-23H;4-7,9,23H,3,8H2,1-2H3;/q-1;;/b;13-12-;.
What are the key properties of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum?
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum has a molecular weight of 1113.99 g/mol, XLogP of 15.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum is sourced from PubChem (CID 59359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).