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

C131H102F6IrN7O4- — CID 158921819

IUPAC7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
SMILESCCC(C)COc1ccc(C(C(=O)C(F)(F)F)=C(O)C(F)(F)F)cc1.CCC(C)Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CCC(C)Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.[Ir].[c-]1cccc2c1c1nccn1c1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21
InChIInChI=1S/C41H34N2.C39H22N3O.C35H30N2.C16H16F6O3.Ir/c1-3-28(2)24-29-20-22-30(23-21-29)31-25-32(42-38-16-8-4-12-34(38)35-13-5-9-17-39(35)42)27-33(26-31)43-40-18-10-6-14-36(40)37-15-7-11-19-41(37)43;1-2-10-30-27(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;1-3-24(2)20-25-21-26(36-32-16-8-4-12-28(32)29-13-5-9-17-33(29)36)23-27(22-25)37-34-18-10-6-14-30(34)31-15-7-11-19-35(31)37;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;/h4-23,25-28H,3,24H2,1-2H3;1-9,11-23H;4-19,21-24H,3,20H2,1-2H3;4-7,9,23H,3,8H2,1-2H3;/q;-1;;;
InChIKeyDVUPAEHQPCCCPH-UHFFFAOYSA-N
MW2144.51 g/mol
LogP35.78
Rot. Bonds19

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

7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium (PubChem CID 158921819) has the molecular formula C131H102F6IrN7O4- and a molecular weight of 2144.51 g/mol. Its IUPAC name is 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium.

Molecular Properties

Compound Name7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
PubChem CID158921819
Molecular FormulaC131H102F6IrN7O4-
Molecular Weight2144.51 g/mol
Exact Mass2143.75
IUPAC Name7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
SMILESCCC(C)COc1ccc(C(C(=O)C(F)(F)F)=C(O)C(F)(F)F)cc1.CCC(C)Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CCC(C)Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.[Ir].[c-]1cccc2c1c1nccn1c1ccc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc21
InChIInChI=1S/C41H34N2.C39H22N3O.C35H30N2.C16H16F6O3.Ir/c1-3-28(2)24-29-20-22-30(23-21-29)31-25-32(42-38-16-8-4-12-34(38)35-13-5-9-17-39(35)42)27-33(26-31)43-40-18-10-6-14-36(40)37-15-7-11-19-41(37)43;1-2-10-30-27(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;1-3-24(2)20-25-21-26(36-32-16-8-4-12-28(32)29-13-5-9-17-33(29)36)23-27(22-25)37-34-18-10-6-14-30(34)31-15-7-11-19-35(31)37;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;/h4-23,25-28H,3,24H2,1-2H3;1-9,11-23H;4-19,21-24H,3,20H2,1-2H3;4-7,9,23H,3,8H2,1-2H3;/q;-1;;;
InChIKeyDVUPAEHQPCCCPH-UHFFFAOYSA-N
XLogP35.78
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002144.51
LogP ≤ 535.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium with MolForge

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Related Compounds

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
CID 59358466
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
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
CID 134343668
Ethane;4-[8-methoxy-1-[(4-methoxyphenyl)methyl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-2-(oxan-4-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144181621
9-[8-[9-(5-Carbazol-9-yl-3-pyridinyl)carbazol-3-yl]dibenzofuran-2-yl]-3,6-bis(trifluoromethyl)carbazole
CID 145703027
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156658655
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium
CID 156659082
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156660200
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[1-[2,6-di(propan-2-yl)phenyl]-8-methylimidazo[4,5-h]quinolin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156670335
[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[1-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazol-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156671160

Frequently Asked Questions

What is the IUPAC name of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium?
The IUPAC name of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium (CID 158921819) is 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium.
What is the SMILES notation for 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium?
The canonical SMILES for 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium is CCC(C)COc1ccc(C(C(=O)C(F)(F)F)=C(O)C(F)(F)F)cc1.CCC(C)Cc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CCC(C)Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.[Ir].[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;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium?
The InChIKey is DVUPAEHQPCCCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2.C39H22N3O.C35H30N2.C16H16F6O3.Ir/c1-3-28(2)24-29-20-22-30(23-21-29)31-25-32(42-38-16-8-4-12-34(38)35-13-5-9-17-39(35)42)27-33(26-31)43-40-18-10-6-14-36(40)37-15-7-11-19-41(37)43;1-2-10-30-27(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;1-3-24(2)20-25-21-26(36-32-16-8-4-12-28(32)29-13-5-9-17-33(29)36)23-27(22-25)37-34-18-10-6-14-30(34)31-15-7-11-19-35(31)37;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;/h4-23,25-28H,3,24H2,1-2H3;1-9,11-23H;4-19,21-24H,3,20H2,1-2H3;4-7,9,23H,3,8H2,1-2H3;/q;-1;;;.
What are the key properties of 7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium?
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium has a molecular weight of 2144.51 g/mol, XLogP of 35.78, 19 rotatable bonds, 1 hydrogen bond donors, and 11 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;9-[3-carbazol-9-yl-5-(2-methylbutyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium is sourced from PubChem (CID 158921819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).