2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole

C198H170Ir4N14O2S-8 — CID 160549697

About 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole

2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole (PubChem CID 160549697) has the molecular formula C198H170Ir4N14O2S-8 and a molecular weight of 3578.57 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole
• PubChem CID: 160549697
• Molecular Formula: C198H170Ir4N14O2S-8
• Molecular Weight: 3578.57 g/mol
• Exact Mass: 3579.19
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole
• SMILES: CCCCCCc1ccc(-c2cc(C)[c-]c(-c3ncc4ccc(C)cc4n3)c2)cc1.CCCCCCc1cccc(-c2cc[c-]c(-c3nc4ccccc4n3-c3ccccc3)c2)c1.Cc1[c-]c(-c2nc(-c3c(C)cc(C)cc3C)c3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nc(N(c3ccccc3)c3ccccc3)c3ccccc3n2)cc(C)c1.Cc1cc2nc(-c3[c-]ccc(-c4ccccc4)c3)oc2cc1C.Cc1cccc(C)c1-c1nc(-c2[c-]cccc2)nc2ccccc12.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2o1.[c-]1ccc(CCCCCc2ccccc2)cc1-c1nc2ccccc2s1
• InChI: InChI=1S/C31H29N2.C28H22N3.C28H29N2.C25H23N2.C24H22NS.C22H17N2.C21H16NO.C19H12NO.4Ir/c1-2-3-4-6-13-24-14-11-15-25(22-24)26-16-12-17-27(23-26)31-32-29-20-9-10-21-30(29)33(31)28-18-7-5-8-19-28;1-20-17-21(2)19-22(18-20)27-29-26-16-10-9-15-25(26)28(30-27)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24;1-4-5-6-7-8-22-10-13-23(14-11-22)25-15-21(3)16-26(18-25)28-29-19-24-12-9-20(2)17-27(24)30-28;1-15-10-16(2)14-20(13-15)25-26-22-9-7-6-8-21(22)24(27-25)23-18(4)11-17(3)12-19(23)5;1-3-10-19(11-4-1)12-5-2-6-13-20-14-9-15-21(18-20)24-25-22-16-7-8-17-23(22)26-24;1-15-9-8-10-16(2)20(15)21-18-13-6-7-14-19(18)23-22(24-21)17-11-4-3-5-12-17;1-14-11-19-20(12-15(14)2)23-21(22-19)18-10-6-9-17(13-18)16-7-4-3-5-8-16;1-2-7-14(8-3-1)15-9-6-10-16(13-15)19-20-17-11-4-5-12-18(17)21-19;;;;/h5,7-12,14-16,18-23H,2-4,6,13H2,1H3;3-18H,1-2H3;9-15,17-19H,4-8H2,1-3H3;6-13H,1-5H3;1,3-4,7-11,14,16-18H,2,5-6,12-13H2;3-11,13-14H,1-2H3;3-9,11-13H,1-2H3;1-9,11-13H;;;;/q8*-1
• InChIKey: GHHSOQBMZXVNGT-UHFFFAOYSA-N
• XLogP: 51.91
• TPSA: 189.13 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 34
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3578.57
LogP ≤ 5	51.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole (CID 160549697) is 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole is CCCCCCc1ccc(-c2cc(C)[c-]c(-c3ncc4ccc(C)cc4n3)c2)cc1.CCCCCCc1cccc(-c2cc[c-]c(-c3nc4ccccc4n3-c3ccccc3)c2)c1.Cc1[c-]c(-c2nc(-c3c(C)cc(C)cc3C)c3ccccc3n2)cc(C)c1.Cc1[c-]c(-c2nc(N(c3ccccc3)c3ccccc3)c3ccccc3n2)cc(C)c1.Cc1cc2nc(-c3[c-]ccc(-c4ccccc4)c3)oc2cc1C.Cc1cccc(C)c1-c1nc(-c2[c-]cccc2)nc2ccccc12.[Ir].[Ir].[Ir].[Ir].[c-]1ccc(-c2ccccc2)cc1-c1nc2ccccc2o1.[c-]1ccc(CCCCCc2ccccc2)cc1-c1nc2ccccc2s1.

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole?

The InChIKey is GHHSOQBMZXVNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N2.C28H22N3.C28H29N2.C25H23N2.C24H22NS.C22H17N2.C21H16NO.C19H12NO.4Ir/c1-2-3-4-6-13-24-14-11-15-25(22-24)26-16-12-17-27(23-26)31-32-29-20-9-10-21-30(29)33(31)28-18-7-5-8-19-28;1-20-17-21(2)19-22(18-20)27-29-26-16-10-9-15-25(26)28(30-27)31(23-11-5-3-6-12-23)24-13-7-4-8-14-24;1-4-5-6-7-8-22-10-13-23(14-11-22)25-15-21(3)16-26(18-25)28-29-19-24-12-9-20(2)17-27(24)30-28;1-15-10-16(2)14-20(13-15)25-26-22-9-7-6-8-21(22)24(27-25)23-18(4)11-17(3)12-19(23)5;1-3-10-19(11-4-1)12-5-2-6-13-20-14-9-15-21(18-20)24-25-22-16-7-8-17-23(22)26-24;1-15-9-8-10-16(2)20(15)21-18-13-6-7-14-19(18)23-22(24-21)17-11-4-3-5-12-17;1-14-11-19-20(12-15(14)2)23-21(22-19)18-10-6-9-17(13-18)16-7-4-3-5-8-16;1-2-7-14(8-3-1)15-9-6-10-16(13-15)19-20-17-11-4-5-12-18(17)21-19;;;;/h5,7-12,14-16,18-23H,2-4,6,13H2,1H3;3-18H,1-2H3;9-15,17-19H,4-8H2,1-3H3;6-13H,1-5H3;1,3-4,7-11,14,16-18H,2,5-6,12-13H2;3-11,13-14H,1-2H3;3-9,11-13H,1-2H3;1-9,11-13H;;;;/q8*-1;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole?

2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole has a molecular weight of 3578.57 g/mol, XLogP of 51.91, 34 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-N,N-diphenylquinazolin-4-amine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2,4,6-trimethylphenyl)quinazoline;5,6-dimethyl-2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;4-(2,6-dimethylphenyl)-2-phenylquinazoline;2-[3-(3-hexylphenyl)benzene-6-id-1-yl]-1-phenylbenzimidazole;2-[3-(4-hexylphenyl)-5-methylbenzene-6-id-1-yl]-7-methylquinazoline;tetrakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-1,3-benzoxazole;2-[3-(5-phenylpentyl)benzene-6-id-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 160549697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).