2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid

C190H146F4IrN9O2- — CID 161242483

IUPAC2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3cc(C(C)(C)C)ccc23)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C66H52N2.C52H36N2.C44H40N2.C11H7F2N.C11H6F2N.C6H5NO2.Ir/c1-43(2)45-35-39-49(40-36-45)67(61-33-17-21-47-19-5-7-23-51(47)61)65-57-29-13-9-25-53(57)63(54-26-10-14-30-58(54)65)64-55-27-11-15-31-59(55)66(60-32-16-12-28-56(60)64)68(50-41-37-46(38-42-50)44(3)4)62-34-18-22-48-20-6-8-24-52(48)62;1-5-21-37(22-6-1)53(38-23-7-2-8-24-38)51-45-33-17-13-29-41(45)49(42-30-14-18-34-46(42)51)50-43-31-15-19-35-47(43)52(48-36-20-16-32-44(48)50)54(39-25-9-3-10-26-39)40-27-11-4-12-28-40;1-31-16-14-22-36(28-31)45(34-18-8-6-9-19-34)42-38-24-12-13-25-39(38)43(41-30-33(44(3,4)5)26-27-40(41)42)46(35-20-10-7-11-21-35)37-23-15-17-32(2)29-37;2*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;/h5-44H,1-4H3;1-36H;6-30H,1-5H3;1-7H;1-4,6-7H;1-4H,(H,8,9);/q;;;;-1;;
InChIKeyRJWXNLUNLJSAQO-UHFFFAOYSA-N
MW2855.53 g/mol
LogP53.84
Rot. Bonds25

About 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid

2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid (PubChem CID 161242483) has the molecular formula C190H146F4IrN9O2- and a molecular weight of 2855.53 g/mol. Its IUPAC name is 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid
PubChem CID161242483
Molecular FormulaC190H146F4IrN9O2-
Molecular Weight2855.53 g/mol
Exact Mass2854.12
IUPAC Name2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid
SMILESCC(C)c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3cc(C(C)(C)C)ccc23)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C66H52N2.C52H36N2.C44H40N2.C11H7F2N.C11H6F2N.C6H5NO2.Ir/c1-43(2)45-35-39-49(40-36-45)67(61-33-17-21-47-19-5-7-23-51(47)61)65-57-29-13-9-25-53(57)63(54-26-10-14-30-58(54)65)64-55-27-11-15-31-59(55)66(60-32-16-12-28-56(60)64)68(50-41-37-46(38-42-50)44(3)4)62-34-18-22-48-20-6-8-24-52(48)62;1-5-21-37(22-6-1)53(38-23-7-2-8-24-38)51-45-33-17-13-29-41(45)49(42-30-14-18-34-46(42)51)50-43-31-15-19-35-47(43)52(48-36-20-16-32-44(48)50)54(39-25-9-3-10-26-39)40-27-11-4-12-28-40;1-31-16-14-22-36(28-31)45(34-18-8-6-9-19-34)42-38-24-12-13-25-39(38)43(41-30-33(44(3,4)5)26-27-40(41)42)46(35-20-10-7-11-21-35)37-23-15-17-32(2)29-37;2*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;/h5-44H,1-4H3;1-36H;6-30H,1-5H3;1-7H;1-4,6-7H;1-4H,(H,8,9);/q;;;;-1;;
InChIKeyRJWXNLUNLJSAQO-UHFFFAOYSA-N
XLogP53.84
TPSA95.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms206
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002855.53
LogP ≤ 553.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid with MolForge

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Related Compounds

2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,19-diphenylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7,9,11(34),12,14,16,19,21,23,25,27,29(33),30-heptadecaene;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;3-fluoranthen-3-yl-7,12-diphenylbenzo[k]fluoranthene;iridium;pyridine-2-carboxylic acid
CID 157329682
2-tert-butyl-10-[3-tert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 59133298
2,6-ditert-butyl-9-N,10-N-bis(4-methylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 159947296
9-N,10-N-bis(3-butan-2-ylphenyl)-2,6-ditert-butyl-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2-tert-butyl-9-N,9-N,10-N,10-N-tetrakis(3-tert-butylphenyl)-6-phenylanthracene-9,10-diamine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 158449345
2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine
CID 159808726
3,9-ditert-butyl-6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-(N-(3,5-dimethylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-diphenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(N-(4-methylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-phenylanthracen-9-amine;2,6-ditert-butyl-10-[2,6-ditert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine;5,11-ditert-butyl-3-N,3-N,9-N,9-N-tetrakis(3-methylphenyl)perylene-3,9-diamine;2,8-ditert-butyl-5-N,5-N,11-N,11-N-tetrakis(4-methylphenyl)tetracene-5,11-diamine
CID 157495110
3-tert-butyl-N-(3-methylphenyl)-10-[(3-methylphenyl)-phenylmethyl]-N-phenylanthracen-9-amine
CID 130458228
N-(4-fluorophenyl)-N-(3-methylphenyl)naphthalen-1-amine
CID 15808211
bis(2-(2,4-difluorophenyl)quinoline);iridium;pyridine-2-carboxylic acid
CID 175117825
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid
CID 159424922
7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine
CID 160570931
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;1-methylpyridin-1-ium-2-carboxylic acid
CID 58037200

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid?
The IUPAC name of 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid (CID 161242483) is 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid?
The canonical SMILES for 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid is CC(C)c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C(C)C)cc4)c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3cc(C(C)(C)C)ccc23)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1ccc(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid?
The InChIKey is RJWXNLUNLJSAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2.C52H36N2.C44H40N2.C11H7F2N.C11H6F2N.C6H5NO2.Ir/c1-43(2)45-35-39-49(40-36-45)67(61-33-17-21-47-19-5-7-23-51(47)61)65-57-29-13-9-25-53(57)63(54-26-10-14-30-58(54)65)64-55-27-11-15-31-59(55)66(60-32-16-12-28-56(60)64)68(50-41-37-46(38-42-50)44(3)4)62-34-18-22-48-20-6-8-24-52(48)62;1-5-21-37(22-6-1)53(38-23-7-2-8-24-38)51-45-33-17-13-29-41(45)49(42-30-14-18-34-46(42)51)50-43-31-15-19-35-47(43)52(48-36-20-16-32-44(48)50)54(39-25-9-3-10-26-39)40-27-11-4-12-28-40;1-31-16-14-22-36(28-31)45(34-18-8-6-9-19-34)42-38-24-12-13-25-39(38)43(41-30-33(44(3,4)5)26-27-40(41)42)46(35-20-10-7-11-21-35)37-23-15-17-32(2)29-37;2*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;/h5-44H,1-4H3;1-36H;6-30H,1-5H3;1-7H;1-4,6-7H;1-4H,(H,8,9);/q;;;;-1;;.
What are the key properties of 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid?
2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid has a molecular weight of 2855.53 g/mol, XLogP of 53.84, 25 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-N,10-N-bis(3-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorophenyl)pyridine;N,N-diphenyl-10-[10-(N-phenylanilino)anthracen-9-yl]anthracen-9-amine;iridium;N-naphthalen-1-yl-10-[10-(N-naphthalen-1-yl-4-propan-2-ylanilino)anthracen-9-yl]-N-(4-propan-2-ylphenyl)anthracen-9-amine;pyridine-2-carboxylic acid is sourced from PubChem (CID 161242483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).