4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline

C179H231FIr4N8O8-4 — CID 163908470

IUPAC4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4[c-]ccc(C5CCCCC5)c4)nc(C(C)C)nc32)c1.CC(C)c1nc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c2ccc3cc(-c4ccccc4)ccc3c2n1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1cc2c(-c3[c-]ccc(C(C)(C)C)c3)nc(C(C)C)nc2c2ccccc12.Cc1cc2c(-c3[c-]ccc(F)c3)nc(C(C)C)nc2c2ccccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H31N2.C35H43N2.C26H27N2.C22H18FN2.4C15H28O2.4Ir/c1-24(2)35-37-33(28-14-11-17-30(23-28)36(3,4)29-15-9-6-10-16-29)32-21-19-27-22-26(25-12-7-5-8-13-25)18-20-31(27)34(32)38-35;1-22(2)17-25-19-28-15-16-31-33(29-14-10-13-27(21-29)26-11-8-7-9-12-26)36-35(24(5)6)37-34(31)32(28)30(20-25)18-23(3)4;1-16(2)25-27-23(18-10-9-11-19(15-18)26(4,5)6)22-14-17(3)20-12-7-8-13-21(20)24(22)28-25;1-13(2)22-24-20(15-7-6-8-16(23)12-15)19-11-14(3)17-9-4-5-10-18(17)21(19)25-22;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-13,15-24H,1-4H3;10,13,15-16,19-24,26H,7-9,11-12,17-18H2,1-6H3;7-9,11-16H,1-6H3;4-6,8-13H,1-3H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyUKKBITUJVQGMMC-UHFFFAOYSA-N
MW3410.73 g/mol
LogP50.58
Rot. Bonds44

About 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline

4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline (PubChem CID 163908470) has the molecular formula C179H231FIr4N8O8-4 and a molecular weight of 3410.73 g/mol. Its IUPAC name is 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline.

Molecular Properties

Compound Name4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline
PubChem CID163908470
Molecular FormulaC179H231FIr4N8O8-4
Molecular Weight3410.73 g/mol
Exact Mass3411.64
IUPAC Name4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline
SMILESCC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4[c-]ccc(C5CCCCC5)c4)nc(C(C)C)nc32)c1.CC(C)c1nc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c2ccc3cc(-c4ccccc4)ccc3c2n1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1cc2c(-c3[c-]ccc(C(C)(C)C)c3)nc(C(C)C)nc2c2ccccc12.Cc1cc2c(-c3[c-]ccc(F)c3)nc(C(C)C)nc2c2ccccc12.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C36H31N2.C35H43N2.C26H27N2.C22H18FN2.4C15H28O2.4Ir/c1-24(2)35-37-33(28-14-11-17-30(23-28)36(3,4)29-15-9-6-10-16-29)32-21-19-27-22-26(25-12-7-5-8-13-25)18-20-31(27)34(32)38-35;1-22(2)17-25-19-28-15-16-31-33(29-14-10-13-27(21-29)26-11-8-7-9-12-26)36-35(24(5)6)37-34(31)32(28)30(20-25)18-23(3)4;1-16(2)25-27-23(18-10-9-11-19(15-18)26(4,5)6)22-14-17(3)20-12-7-8-13-21(20)24(22)28-25;1-13(2)22-24-20(15-7-6-8-16(23)12-15)19-11-14(3)17-9-4-5-10-18(17)21(19)25-22;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-13,15-24H,1-4H3;10,13,15-16,19-24,26H,7-9,11-12,17-18H2,1-6H3;7-9,11-16H,1-6H3;4-6,8-13H,1-3H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyUKKBITUJVQGMMC-UHFFFAOYSA-N
XLogP50.58
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003410.73
LogP ≤ 550.58
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline with MolForge

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Launch Full Analysis

Related Compounds

(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;iridium;4-(1-methyl-3H-dibenzofuran-3-id-4-yl)-8-phenyl-2-propan-2-ylbenzo[h]quinazoline
CID 162692852
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(1-methyl-3H-dibenzofuran-3-id-4-yl)-10-(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline
CID 162693392
4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692684
(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-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
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
4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;(Z)-5-hydroxy-2,2,4,6,6-pentamethylhept-4-en-3-one;iridium
CID 162692359
4-(4-tert-butylbenzene-6-id-1-yl)-10-methylbenzo[h]quinazoline;4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);8,10-di(propan-2-yl)-4-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)benzo[h]quinazoline;tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[h]quinazoline
CID 163477740
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
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;4-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-2,8,10-tri(propan-2-yl)benzo[h]quinazoline
CID 162692430
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-(7-methyl-2-propan-2-ylbenzo[h]quinazolin-4-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162692265

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline?
The IUPAC name of 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline (CID 163908470) is 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline.
What is the SMILES notation for 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline?
The canonical SMILES for 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline is CC(C)Cc1cc(CC(C)C)c2c(ccc3c(-c4[c-]ccc(C5CCCCC5)c4)nc(C(C)C)nc32)c1.CC(C)c1nc(-c2[c-]ccc(C(C)(C)c3ccccc3)c2)c2ccc3cc(-c4ccccc4)ccc3c2n1.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.CCC(C)(CC)C(=O)C=C(O)C(C)(CC)CC.Cc1cc2c(-c3[c-]ccc(C(C)(C)C)c3)nc(C(C)C)nc2c2ccccc12.Cc1cc2c(-c3[c-]ccc(F)c3)nc(C(C)C)nc2c2ccccc12.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline?
The InChIKey is UKKBITUJVQGMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N2.C35H43N2.C26H27N2.C22H18FN2.4C15H28O2.4Ir/c1-24(2)35-37-33(28-14-11-17-30(23-28)36(3,4)29-15-9-6-10-16-29)32-21-19-27-22-26(25-12-7-5-8-13-25)18-20-31(27)34(32)38-35;1-22(2)17-25-19-28-15-16-31-33(29-14-10-13-27(21-29)26-11-8-7-9-12-26)36-35(24(5)6)37-34(31)32(28)30(20-25)18-23(3)4;1-16(2)25-27-23(18-10-9-11-19(15-18)26(4,5)6)22-14-17(3)20-12-7-8-13-21(20)24(22)28-25;1-13(2)22-24-20(15-7-6-8-16(23)12-15)19-11-14(3)17-9-4-5-10-18(17)21(19)25-22;4*1-7-14(5,8-2)12(16)11-13(17)15(6,9-3)10-4;;;;/h5-13,15-24H,1-4H3;10,13,15-16,19-24,26H,7-9,11-12,17-18H2,1-6H3;7-9,11-16H,1-6H3;4-6,8-13H,1-3H3;4*11,16H,7-10H2,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline?
4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline has a molecular weight of 3410.73 g/mol, XLogP of 50.58, 44 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylbenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;4-(3-cyclohexylbenzene-6-id-1-yl)-8,10-bis(2-methylpropyl)-2-propan-2-ylbenzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);4-(3-fluorobenzene-6-id-1-yl)-6-methyl-2-propan-2-ylbenzo[h]quinazoline;tetrakis(iridium);8-phenyl-4-[3-(2-phenylpropan-2-yl)benzene-6-id-1-yl]-2-propan-2-ylbenzo[h]quinazoline is sourced from PubChem (CID 163908470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).