4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline

C147H188Ir4N8O8Si-4 — CID 163761681

IUPAC4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline
SMILESCC(C(=O)C(C)(C)C)=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc(C(C)C)cc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cccc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1cc(C)c2c(ccc3c(-c4[c-]cccc4)nc(C)nc32)c1.Cc1nc(-c2[c-]cccc2)c2ccc3cccc([Si](C)(C)C)c3c2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H35N2.C27H29N2.C22H21N2Si.C21H17N2.C13H24O2.C12H22O2.2C11H20O2.4Ir/c1-17(2)22-14-21-10-11-25-28(23-12-19(5)13-24(15-23)30(7,8)9)31-20(6)32-29(25)27(21)26(16-22)18(3)4;1-16(2)22-10-8-9-19-11-12-23-25(28-18(4)29-26(23)24(19)22)20-13-17(3)14-21(15-20)27(5,6)7;1-15-23-21(17-9-6-5-7-10-17)18-14-13-16-11-8-12-19(25(2,3)4)20(16)22(18)24-15;1-13-11-14(2)19-17(12-13)9-10-18-20(16-7-5-4-6-8-16)22-15(3)23-21(18)19;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;1-8(9(13)11(2,3)4)10(14)12(5,6)7;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h10-11,13-18H,1-9H3;8-12,14-16H,1-7H3;5-9,11-14H,1-4H3;4-7,9-12H,1-3H3;9,14H,7-8H2,1-6H3;13H,1-7H3;2*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyBNDHRCQPPCHSRW-UHFFFAOYSA-N
MW2992.12 g/mol
LogP39.50
Rot. Bonds15

About 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline

4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline (PubChem CID 163761681) has the molecular formula C147H188Ir4N8O8Si-4 and a molecular weight of 2992.12 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline
PubChem CID163761681
Molecular FormulaC147H188Ir4N8O8Si-4
Molecular Weight2992.12 g/mol
Exact Mass2993.29
IUPAC Name4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline
SMILESCC(C(=O)C(C)(C)C)=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc(C(C)C)cc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cccc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1cc(C)c2c(ccc3c(-c4[c-]cccc4)nc(C)nc32)c1.Cc1nc(-c2[c-]cccc2)c2ccc3cccc([Si](C)(C)C)c3c2n1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C30H35N2.C27H29N2.C22H21N2Si.C21H17N2.C13H24O2.C12H22O2.2C11H20O2.4Ir/c1-17(2)22-14-21-10-11-25-28(23-12-19(5)13-24(15-23)30(7,8)9)31-20(6)32-29(25)27(21)26(16-22)18(3)4;1-16(2)22-10-8-9-19-11-12-23-25(28-18(4)29-26(23)24(19)22)20-13-17(3)14-21(15-20)27(5,6)7;1-15-23-21(17-9-6-5-7-10-17)18-14-13-16-11-8-12-19(25(2,3)4)20(16)22(18)24-15;1-13-11-14(2)19-17(12-13)9-10-18-20(16-7-5-4-6-8-16)22-15(3)23-21(18)19;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;1-8(9(13)11(2,3)4)10(14)12(5,6)7;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h10-11,13-18H,1-9H3;8-12,14-16H,1-7H3;5-9,11-14H,1-4H3;4-7,9-12H,1-3H3;9,14H,7-8H2,1-6H3;13H,1-7H3;2*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyBNDHRCQPPCHSRW-UHFFFAOYSA-N
XLogP39.50
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002992.12
LogP ≤ 539.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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_3', 'substructure': 'N/A'}

Analyze 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-methylbenzo[h]quinazolin-10-yl]-trimethylsilane;iridium
CID 162692560
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline
CID 162693196
tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-di(propan-2-yl)benzo[h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-9-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3,5-dimethylbenzene-6-id-1-yl)-8-phenyl-2-propan-2-ylbenzo[h]quinazoline;[4-(3,5-dimethylbenzene-6-id-1-yl)-2-propan-2-ylbenzo[h]quinazolin-10-yl]-trimethylsilane;tetrakis(iridium)
CID 163943378
8-tert-butyl-4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162693203
8-tert-butyl-2,10-dimethyl-4-(3-phenylbenzene-6-id-1-yl)benzo[h]quinazoline;(Z)-6-ethyl-5-hydroxy-2,2,6-trimethyloct-4-en-3-one;iridium
CID 162692400
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;2-methyl-8,10-bis(2-methylpropyl)-4-phenylbenzo[h]quinazoline
CID 162693367
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;[4-(3,5-dimethylbenzene-6-id-1-yl)-2,10-dimethylbenzo[h]quinazolin-8-yl]-trimethylgermane;iridium
CID 162693219
4-(3H-dibenzofuran-3-id-4-yl)-2,10-dimethylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methylbenzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3H-dibenzofuran-3-id-4-yl)-2-methyl-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 163996194
(Z)-3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;iridium;9-methyl-4-phenyl-2-propan-2-ylbenzo[h]quinazoline
CID 162693019
8-tert-butyl-4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692636
4-(3,5-dimethylbenzene-6-id-1-yl)-8,10-dimethyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693297
4-(3,5-dimethylbenzene-6-id-1-yl)-10-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162692664

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline?
The IUPAC name of 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline (CID 163761681) is 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline is CC(C(=O)C(C)(C)C)=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CCC(C)(CC)C(=O)C=C(O)C(C)(C)C.Cc1[c-]c(-c2nc(C)nc3c2ccc2cc(C(C)C)cc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1[c-]c(-c2nc(C)nc3c2ccc2cccc(C(C)C)c23)cc(C(C)(C)C)c1.Cc1cc(C)c2c(ccc3c(-c4[c-]cccc4)nc(C)nc32)c1.Cc1nc(-c2[c-]cccc2)c2ccc3cccc([Si](C)(C)C)c3c2n1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline?
The InChIKey is BNDHRCQPPCHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N2.C27H29N2.C22H21N2Si.C21H17N2.C13H24O2.C12H22O2.2C11H20O2.4Ir/c1-17(2)22-14-21-10-11-25-28(23-12-19(5)13-24(15-23)30(7,8)9)31-20(6)32-29(25)27(21)26(16-22)18(3)4;1-16(2)22-10-8-9-19-11-12-23-25(28-18(4)29-26(23)24(19)22)20-13-17(3)14-21(15-20)27(5,6)7;1-15-23-21(17-9-6-5-7-10-17)18-14-13-16-11-8-12-19(25(2,3)4)20(16)22(18)24-15;1-13-11-14(2)19-17(12-13)9-10-18-20(16-7-5-4-6-8-16)22-15(3)23-21(18)19;1-7-13(6,8-2)11(15)9-10(14)12(3,4)5;1-8(9(13)11(2,3)4)10(14)12(5,6)7;2*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h10-11,13-18H,1-9H3;8-12,14-16H,1-7H3;5-9,11-14H,1-4H3;4-7,9-12H,1-3H3;9,14H,7-8H2,1-6H3;13H,1-7H3;2*7,12H,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline?
4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline has a molecular weight of 2992.12 g/mol, XLogP of 39.50, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-8,10-di(propan-2-yl)benzo[h]quinazoline;4-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-methyl-10-propan-2-ylbenzo[h]quinazoline;3-ethyl-6-hydroxy-3,7,7-trimethyloct-5-en-4-one;5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);trimethyl-(2-methyl-4-phenylbenzo[h]quinazolin-10-yl)silane;2,8,10-trimethyl-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 163761681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).