N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline

C133H140Ir4N10O9S4-4 — CID 159023106

IUPACN,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline
SMILESCC(C)(C)C(=O)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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.Cc1[c-]c(-c2ncnc3cc(C)ccc23)c2sc3ccccc3c2c1.Cc1[c-]c(-c2ncnc3cc(N(C)C)ccc23)c2sc3ccccc3c2c1.[C-]#[N+]c1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H18N3S.C22H12N3S.C22H15N2OS.C22H15N2S.4C11H20O2.4Ir/c1-14-10-18-16-6-4-5-7-21(16)27-23(18)19(11-14)22-17-9-8-15(26(2)3)12-20(17)24-13-25-22;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(23-2)11-19(16)24-12-25-21;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(25-2)11-19(16)23-12-24-21;1-13-7-8-16-19(11-13)23-12-24-21(16)18-10-14(2)9-17-15-5-3-4-6-20(15)25-22(17)18;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4-10,12-13H,1-3H3;3-9,11-12H,1H3;3-9,11-12H,1-2H3;3-9,11-12H,1-2H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyDYHSWOUHJRUZOT-UHFFFAOYSA-N
MW2919.78 g/mol
LogP36.38
Rot. Bonds10

About N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline

N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline (PubChem CID 159023106) has the molecular formula C133H140Ir4N10O9S4-4 and a molecular weight of 2919.78 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline
PubChem CID159023106
Molecular FormulaC133H140Ir4N10O9S4-4
Molecular Weight2919.78 g/mol
Exact Mass2920.82
IUPAC NameN,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline
SMILESCC(C)(C)C(=O)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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.Cc1[c-]c(-c2ncnc3cc(C)ccc23)c2sc3ccccc3c2c1.Cc1[c-]c(-c2ncnc3cc(N(C)C)ccc23)c2sc3ccccc3c2c1.[C-]#[N+]c1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C23H18N3S.C22H12N3S.C22H15N2OS.C22H15N2S.4C11H20O2.4Ir/c1-14-10-18-16-6-4-5-7-21(16)27-23(18)19(11-14)22-17-9-8-15(26(2)3)12-20(17)24-13-25-22;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(23-2)11-19(16)24-12-25-21;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(25-2)11-19(16)23-12-24-21;1-13-7-8-16-19(11-13)23-12-24-21(16)18-10-14(2)9-17-15-5-3-4-6-20(15)25-22(17)18;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4-10,12-13H,1-3H3;3-9,11-12H,1H3;3-9,11-12H,1-2H3;3-9,11-12H,1-2H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;
InChIKeyDYHSWOUHJRUZOT-UHFFFAOYSA-N
XLogP36.38
TPSA269.15 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.78
LogP ≤ 536.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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'}

Analyze N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline?
The IUPAC name of N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline (CID 159023106) is N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline.
What is the SMILES notation for N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline?
The canonical SMILES for N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline is CC(C)(C)C(=O)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.CC(C)(C)C(=O)C=C(O)C(C)(C)C.COc1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.Cc1[c-]c(-c2ncnc3cc(C)ccc23)c2sc3ccccc3c2c1.Cc1[c-]c(-c2ncnc3cc(N(C)C)ccc23)c2sc3ccccc3c2c1.[C-]#[N+]c1ccc2c(-c3[c-]c(C)cc4c3sc3ccccc34)ncnc2c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline?
The InChIKey is DYHSWOUHJRUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N3S.C22H12N3S.C22H15N2OS.C22H15N2S.4C11H20O2.4Ir/c1-14-10-18-16-6-4-5-7-21(16)27-23(18)19(11-14)22-17-9-8-15(26(2)3)12-20(17)24-13-25-22;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(23-2)11-19(16)24-12-25-21;1-13-9-17-15-5-3-4-6-20(15)26-22(17)18(10-13)21-16-8-7-14(25-2)11-19(16)23-12-24-21;1-13-7-8-16-19(11-13)23-12-24-21(16)18-10-14(2)9-17-15-5-3-4-6-20(15)25-22(17)18;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4-10,12-13H,1-3H3;3-9,11-12H,1H3;3-9,11-12H,1-2H3;3-9,11-12H,1-2H3;4*7,12H,1-6H3;;;;/q4*-1;;;;;;;;.
What are the key properties of N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline?
N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline has a molecular weight of 2919.78 g/mol, XLogP of 36.38, 10 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazolin-7-amine;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium);7-isocyano-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methoxy-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline;7-methyl-4-(2-methyl-3H-dibenzothiophen-3-id-4-yl)quinazoline is sourced from PubChem (CID 159023106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).