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

C207H141F2IrN6O2- — CID 157329682

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;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

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 (PubChem CID 157329682) has the molecular formula C207H141F2IrN6O2- and a molecular weight of 2974.66 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;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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157329682
• Molecular Formula: C207H141F2IrN6O2-
• Molecular Weight: 2974.66 g/mol
• Exact Mass: 2973.07
• IUPAC Name: 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
• SMILES: Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3cc(C(C)(C)C)ccc23)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.c1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5cc6ccccc6c6cccc(c23)c65)c2cccc3cccc4c32)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C52H36N2.C48H28.C46H26.C44H40N2.C11H6F2N.C6H5NO2.Ir/c1-5-21-37(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;1-3-13-29(14-4-1)43-38-19-9-10-20-39(38)44(30-15-5-2-6-16-30)48-42-28-26-34(37-23-12-24-41(46(37)42)47(43)48)33-25-27-40-32-18-8-7-17-31(32)35-21-11-22-36(33)45(35)40;1-3-12-28(13-4-1)42-38-25-36-33-20-9-17-27-18-10-21-34(41(27)33)37(36)26-39(38)43(29-14-5-2-6-15-29)46-40-24-30-16-7-8-19-31(30)32-22-11-23-35(44(32)40)45(42)46;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;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;/h1-36H;1-28H;1-26H;6-30H,1-5H3;1-4,6-7H;1-4H,(H,8,9);/q;;;;-1
• InChIKey: YGHZQZZFFQLSPG-UHFFFAOYSA-N
• XLogP: 57.92
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2974.66
LogP ≤ 5	57.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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;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?

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;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) 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;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.

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;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?

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;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 is Cc1cccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3cccc(C)c3)c3cc(C(C)(C)C)ccc23)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.[Ir].c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cccc-3c24)cc1.c1ccc(-c2c3cc4c(cc3c(-c3ccccc3)c3c5cc6ccccc6c6cccc(c23)c65)c2cccc3cccc4c32)cc1.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;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?

The InChIKey is YGHZQZZFFQLSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2.C48H28.C46H26.C44H40N2.C11H6F2N.C6H5NO2.Ir/c1-5-21-37(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;1-3-13-29(14-4-1)43-38-19-9-10-20-39(38)44(30-15-5-2-6-16-30)48-42-28-26-34(37-23-12-24-41(46(37)42)47(43)48)33-25-27-40-32-18-8-7-17-31(32)35-21-11-22-36(33)45(35)40;1-3-12-28(13-4-1)42-38-25-36-33-20-9-17-27-18-10-21-34(41(27)33)37(36)26-39(38)43(29-14-5-2-6-15-29)46-40-24-30-16-7-8-19-31(30)32-22-11-23-35(44(32)40)45(42)46;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;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;/h1-36H;1-28H;1-26H;6-30H,1-5H3;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;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?

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 has a molecular weight of 2974.66 g/mol, XLogP of 57.92, 20 rotatable bonds, 1 hydrogen bond donors, and 7 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;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 is sourced from PubChem (CID 157329682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).