4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

C160H190Ir4N8O8Si-4 — CID 163654486

About 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)

4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (PubChem CID 163654486) has the molecular formula C160H190Ir4N8O8Si-4 and a molecular weight of 3150.28 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).

Molecular Properties

• Compound Name: 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
• PubChem CID: 163654486
• Molecular Formula: C160H190Ir4N8O8Si-4
• Molecular Weight: 3150.28 g/mol
• Exact Mass: 3151.30
• IUPAC Name: 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
• SMILES: CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(O)=CC(=O)C(C)(C)C.CCc1nc(-c2[c-]c(C)cc(C)c2)c2ccc3ccc4ccccc4c3c2n1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2c4ccccc4ccc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cc4ccccc4cc23)cc(C)c1.Cc1nc(-c2[c-]cc([Si](C)(C)C)cc2)c2ccc3c4ccccc4cc(C)c3c2n1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C27H25N2Si.2C27H23N2.C26H21N2.C14H26O2.3C13H24O2.4Ir/c1-17-16-20-8-6-7-9-22(20)23-14-15-24-26(28-18(2)29-27(24)25(17)23)19-10-12-21(13-11-19)30(3,4)5;1-16(2)27-28-25(22-12-17(3)11-18(4)13-22)23-10-9-21-14-19-7-5-6-8-20(19)15-24(21)26(23)29-27;1-16(2)27-28-25(20-14-17(3)13-18(4)15-20)24-12-11-22-21-8-6-5-7-19(21)9-10-23(22)26(24)29-27;1-4-23-27-25(20-14-16(2)13-17(3)15-20)22-12-11-19-10-9-18-7-5-6-8-21(18)24(19)26(22)28-23;1-7-13(4,5)11(15)10-12(16)14(6,8-2)9-3;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;;;;/h6-10,12-16H,1-5H3;5-12,14-16H,1-4H3;5-14,16H,1-4H3;5-14H,4H2,1-3H3;10,16H,7-9H2,1-6H3;2*9,14H,7-8H2,1-6H3;9,15H,7-8H2,1-6H3;;;;/q4*-1
• InChIKey: XAPLARAPBGUOIE-UHFFFAOYSA-N
• XLogP: 43.29
• TPSA: 252.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3150.28
LogP ≤ 5	43.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?

The IUPAC name of 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) (CID 163654486) is 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium).

What is the SMILES notation for 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?

The canonical SMILES for 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) is CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(C)CC.CCC(C)(C)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(O)=CC(=O)C(C)(C)C.CCc1nc(-c2[c-]c(C)cc(C)c2)c2ccc3ccc4ccccc4c3c2n1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2c4ccccc4ccc23)cc(C)c1.Cc1[c-]c(-c2nc(C(C)C)nc3c2ccc2cc4ccccc4cc23)cc(C)c1.Cc1nc(-c2[c-]cc([Si](C)(C)C)cc2)c2ccc3c4ccccc4cc(C)c3c2n1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?

The InChIKey is XAPLARAPBGUOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N2Si.2C27H23N2.C26H21N2.C14H26O2.3C13H24O2.4Ir/c1-17-16-20-8-6-7-9-22(20)23-14-15-24-26(28-18(2)29-27(24)25(17)23)19-10-12-21(13-11-19)30(3,4)5;1-16(2)27-28-25(22-12-17(3)11-18(4)13-22)23-10-9-21-14-19-7-5-6-8-20(19)15-24(21)26(23)29-27;1-16(2)27-28-25(20-14-17(3)13-18(4)15-20)24-12-11-22-21-8-6-5-7-19(21)9-10-23(22)26(24)29-27;1-4-23-27-25(20-14-16(2)13-17(3)15-20)22-12-11-19-10-9-18-7-5-6-8-21(18)24(19)26(22)28-23;1-7-13(4,5)11(15)10-12(16)14(6,8-2)9-3;2*1-7-12(3,4)10(14)9-11(15)13(5,6)8-2;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;;;;/h6-10,12-16H,1-5H3;5-12,14-16H,1-4H3;5-14,16H,1-4H3;5-14H,4H2,1-3H3;10,16H,7-9H2,1-6H3;2*9,14H,7-8H2,1-6H3;9,15H,7-8H2,1-6H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)?

4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) has a molecular weight of 3150.28 g/mol, XLogP of 43.29, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylbenzene-6-id-1-yl)-2-ethylnaphtho[2,1-h]quinazoline;1-(3,5-dimethylbenzene-6-id-1-yl)-3-propan-2-ylnaphtho[1,2-h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylnaphtho[2,3-h]quinazoline;[4-(3,5-dimethylnaphtho[1,2-h]quinazolin-1-yl)benzene-5-id-1-yl]-trimethylsilane;7-ethyl-6-hydroxy-3,3,7-trimethylnon-5-en-4-one;6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;bis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium) is sourced from PubChem (CID 163654486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).