9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid

C167H113F2IrN10O2- — CID 162091827

IUPAC9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C58H38N4.C48H32N2.C44H32N2.C11H6F2N.C6H5NO2.Ir/c1-3-15-41(16-4-1)52-38-53(60-58(59-52)42-17-5-2-6-18-42)45-36-43(39-27-31-46(32-28-39)61-54-23-11-7-19-48(54)49-20-8-12-24-55(49)61)35-44(37-45)40-29-33-47(34-30-40)62-56-25-13-9-21-50(56)51-22-10-14-26-57(51)62;1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-45-18-8-4-14-41(45)42-15-5-9-19-46(42)49)32-38(31-36)35-24-28-40(29-25-35)50-47-20-10-6-16-43(47)44-17-7-11-21-48(44)50;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h1-38H;1-32H;1-32H;1-4,6-7H;1-4H,(H,8,9);/q;;;-1;;
InChIKeyYWDWKAHNKNFRMC-UHFFFAOYSA-N
MW2522.02 g/mol
LogP44.09
Rot. Bonds21

About 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid

9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid (PubChem CID 162091827) has the molecular formula C167H113F2IrN10O2- and a molecular weight of 2522.02 g/mol. Its IUPAC name is 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid
PubChem CID162091827
Molecular FormulaC167H113F2IrN10O2-
Molecular Weight2522.02 g/mol
Exact Mass2520.87
IUPAC Name9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C58H38N4.C48H32N2.C44H32N2.C11H6F2N.C6H5NO2.Ir/c1-3-15-41(16-4-1)52-38-53(60-58(59-52)42-17-5-2-6-18-42)45-36-43(39-27-31-46(32-28-39)61-54-23-11-7-19-48(54)49-20-8-12-24-55(49)61)35-44(37-45)40-29-33-47(34-30-40)62-56-25-13-9-21-50(56)51-22-10-14-26-57(51)62;1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-45-18-8-4-14-41(45)42-15-5-9-19-46(42)49)32-38(31-36)35-24-28-40(29-25-35)50-47-20-10-6-16-43(47)44-17-7-11-21-48(44)50;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h1-38H;1-32H;1-32H;1-4,6-7H;1-4H,(H,8,9);/q;;;-1;;
InChIKeyYWDWKAHNKNFRMC-UHFFFAOYSA-N
XLogP44.09
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.02
LogP ≤ 544.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid 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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid?
The IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid (CID 162091827) is 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid.
What is the SMILES notation for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid?
The canonical SMILES for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid is Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2cc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid?
The InChIKey is YWDWKAHNKNFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4.C48H32N2.C44H32N2.C11H6F2N.C6H5NO2.Ir/c1-3-15-41(16-4-1)52-38-53(60-58(59-52)42-17-5-2-6-18-42)45-36-43(39-27-31-46(32-28-39)61-54-23-11-7-19-48(54)49-20-8-12-24-55(49)61)35-44(37-45)40-29-33-47(34-30-40)62-56-25-13-9-21-50(56)51-22-10-14-26-57(51)62;1-2-12-33(13-3-1)36-30-37(34-22-26-39(27-23-34)49-45-18-8-4-14-41(45)42-15-5-9-19-46(42)49)32-38(31-36)35-24-28-40(29-25-35)50-47-20-10-6-16-43(47)44-17-7-11-21-48(44)50;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h1-38H;1-32H;1-32H;1-4,6-7H;1-4H,(H,8,9);/q;;;-1;;.
What are the key properties of 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid?
9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid has a molecular weight of 2522.02 g/mol, XLogP of 44.09, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;pyridine-2-carboxylic acid is sourced from PubChem (CID 162091827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).