2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C132H101Ir4N11O2-6 — CID 160735632

About 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 160735632) has the molecular formula C132H101Ir4N11O2-6 and a molecular weight of 2642.20 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

• Compound Name: 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• PubChem CID: 160735632
• Molecular Formula: C132H101Ir4N11O2-6
• Molecular Weight: 2642.20 g/mol
• Exact Mass: 2643.67
• IUPAC Name: 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
• SMILES: CC(=O)C=C(C)O.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Cc1ccc(-c2nc(-c3c[c-]c(-c4ccccn4)cc3)nc(-c3ccc(C)cc3)n2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2c(cn1)-c1ccccc1C2.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C46H34N4.C28H21N4.C24H18N.C18H12N.C11H8N.C5H8O2.4Ir/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-19-6-10-22(11-7-19)26-30-27(23-12-8-20(2)9-13-23)32-28(31-26)24-16-14-21(15-17-24)25-5-3-4-18-29-25;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-2-6-13(7-3-1)18-11-15-10-14-8-4-5-9-16(14)17(15)12-19-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h5-24,27-28H,1-4H3;3-14,16-18H,1-2H3;3-10,12-15H,1-2H3;1-6,8-9,11-12H,10H2;1-6,8-9H;3,6H,1-2H3;;;;/q-2;4*-1
• InChIKey: BRBYRXOCYOIKDE-UHFFFAOYSA-N
• XLogP: 31.31
• TPSA: 161.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2642.20
LogP ≤ 5	31.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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'}

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The IUPAC name of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 160735632) is 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

What is the SMILES notation for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The canonical SMILES for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is CC(=O)C=C(C)O.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.Cc1ccc(-c2nc(-c3c[c-]c(-c4ccccn4)cc3)nc(-c3ccc(C)cc3)n2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2c(cn1)-c1ccccc1C2.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

The InChIKey is BRBYRXOCYOIKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4.C28H21N4.C24H18N.C18H12N.C11H8N.C5H8O2.4Ir/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-19-6-10-22(11-7-19)26-30-27(23-12-8-20(2)9-13-23)32-28(31-26)24-16-14-21(15-17-24)25-5-3-4-18-29-25;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;1-2-6-13(7-3-1)18-11-15-10-14-8-4-5-9-16(14)17(15)12-19-18;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;;/h5-24,27-28H,1-4H3;3-14,16-18H,1-2H3;3-10,12-15H,1-2H3;1-6,8-9,11-12H,10H2;1-6,8-9H;3,6H,1-2H3;;;;/q-2;4*-1;;;;;.

What are the key properties of 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?

2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine has a molecular weight of 2642.20 g/mol, XLogP of 31.31, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 160735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).