2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

C109H89Ir2N7O2Pt- — CID 158073881

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESCC(=O)C=C(C)O.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir+3].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccccc1-2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C46H34N4.C28H27N2.C19H12.C11H8N.C5H8O2.2Ir.Pt/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-2-6-14(7-3-1)15-10-11-19-17(12-15)13-16-8-4-5-9-18(16)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;/h5-24,27-28H,1-4H3;7-12,14-16H,1-6H3;1-6,8-9,11-12H,13H2;1-6,8-9H;3,6H,1-2H3;;;/q-2;-1;-2;-1;;;+3;+2
InChIKeyGTXOEIKDYZVZCE-UHFFFAOYSA-N
MW2108.47 g/mol
LogP26.49
Rot. Bonds11

About 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine

2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (PubChem CID 158073881) has the molecular formula C109H89Ir2N7O2Pt- and a molecular weight of 2108.47 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
PubChem CID158073881
Molecular FormulaC109H89Ir2N7O2Pt-
Molecular Weight2108.47 g/mol
Exact Mass2108.60
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
SMILESCC(=O)C=C(C)O.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir+3].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccccc1-2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C46H34N4.C28H27N2.C19H12.C11H8N.C5H8O2.2Ir.Pt/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-2-6-14(7-3-1)15-10-11-19-17(12-15)13-16-8-4-5-9-18(16)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;/h5-24,27-28H,1-4H3;7-12,14-16H,1-6H3;1-6,8-9,11-12H,13H2;1-6,8-9H;3,6H,1-2H3;;;/q-2;-1;-2;-1;;;+3;+2
InChIKeyGTXOEIKDYZVZCE-UHFFFAOYSA-N
XLogP26.49
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002108.47
LogP ≤ 526.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine with MolForge

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Related Compounds

2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;5-(4-fluorophenyl)-2-phenylpyridine;pentakis(4-hydroxypent-3-en-2-one);octakis(iridium);2-(3-methyl-1H-naphthalen-1-id-2-yl)pyridine;2-(4-methyl-1H-naphthalen-1-id-2-yl)pyridine;3-phenyl-5H-indeno[1,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 159130980
2,4-bis(4-methylphenyl)-6-(4-pyridin-2-ylbenzene-5-id-1-yl)-1,3,5-triazine;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);3-phenyl-5H-indeno[1,2-c]pyridine;2-phenylpyridine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 160735632
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;5-(4-fluorophenyl)-2-phenylpyridine;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);3-phenyl-[1]benzofuro[3,2-c]pyridine;bis(2-phenylpyridine);4-phenylthieno[3,2-c]pyridine
CID 158795556
platinum(4+);8,8,14,14-tetramethyl-N,N-bis(3-phenylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 166586944
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159047004
3-(3,5-dimethylbenzene-6-id-1-yl)-6-(2,6-dimethylphenyl)-2-(3,5-dimethylphenyl)-4H-pyridin-4-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 166512505
13,13-dimethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine;tris(platinum(2+));8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine;8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 158597154
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);5-methyl-2-phenylquinoline;2-phenyl-1H-naphthalen-1-ide;2-phenylpyridine
CID 160979873
CID 157249595
CID 157249595
CID 160958466
CID 160958466
CID 160594212
CID 160594212
2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;2-[3-(4-fluorophenyl)benzene-6-id-1-yl]-3,4-dimethylpyridine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)-5-propan-2-ylpyridine;2-phenylpyridine
CID 158273404

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine (CID 158073881) is 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine.
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is CC(=O)C=C(C)O.CC1(C)c2cc(N(c3[c-]c(-c4ccccn4)ccc3)c3[c-]c(-c4ccccn4)ccc3)cc3c2-n2c4c1cccc4c1cccc(c12)C3(C)C.Cc1[c-]c(-c2ncc(-c3c(C)cccc3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.[Ir+3].[Ir].[Pt+2].[c-]1ccccc1-c1[c-]cc2c(c1)Cc1ccccc1-2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
The InChIKey is GTXOEIKDYZVZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4.C28H27N2.C19H12.C11H8N.C5H8O2.2Ir.Pt/c1-45(2)36-19-11-17-34-35-18-12-20-37-43(35)50(42(34)36)44-38(45)27-33(28-39(44)46(37,3)4)49(31-15-9-13-29(25-31)40-21-5-7-23-47-40)32-16-10-14-30(26-32)41-22-6-8-24-48-41;1-17-10-18(2)13-23(12-17)27-28(24-14-19(3)11-20(4)15-24)30-25(16-29-27)26-21(5)8-7-9-22(26)6;1-2-6-14(7-3-1)15-10-11-19-17(12-15)13-16-8-4-5-9-18(16)19;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;;/h5-24,27-28H,1-4H3;7-12,14-16H,1-6H3;1-6,8-9,11-12H,13H2;1-6,8-9H;3,6H,1-2H3;;;/q-2;-1;-2;-1;;;+3;+2.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine?
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine has a molecular weight of 2108.47 g/mol, XLogP of 26.49, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;4-hydroxypent-3-en-2-one;iridium;iridium(3+);2-phenyl-3,9-dihydrofluoren-3-ide;2-phenylpyridine;platinum(2+);8,8,14,14-tetramethyl-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine is sourced from PubChem (CID 158073881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).