CID 160716233

C266H224FIr10N23O6-10 — CID 160716233

IUPAC—
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cnc2c3[c-]cccc3c3ccccc3n12.CN(C)c1ccnc(C(=O)O)c1.Cc1cc(C)c2c(c1)c1c(-c3ccccc3C)c(C)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1c([c-]cc3c4ccccc4c4ccccc4c31)c1ncc(C)n12.Cc1cc(C)c2c(c1)c1cc(F)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1ncc(C)n12.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1ncc(C)n21.Cc1ccccc1-c1c(C)c[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1ccccc1-c1cc[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1cn2c(n1)c1[c-]ccc(-c3c(C)cccc3C)c1c1cc(-c3c(C)cccc3C)cc(C)c12.Cc1cnc2c3[c-]cccc3c3ccccc3n12.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H29N2.C32H27N2.C31H25N2.C30H21N2.C26H23N2.C24H19N2.C19H17N2.C18H14FN2.C18H15N2.C16H11N2.C8H10N2O2.C6H5NO2.C5H8O2.10Ir/c1-19-10-7-11-20(2)29(19)25-16-23(5)32-28(17-25)31-26(30-21(3)12-8-13-22(30)4)14-9-15-27(31)33-34-24(6)18-35(32)33;1-19-9-6-7-12-25(19)30-22(4)13-15-26-31(30)27-17-24(29-20(2)10-8-11-21(29)3)14-16-28(27)34-23(5)18-33-32(26)34;1-19-9-5-6-12-24(19)25-13-8-14-26-30(25)27-17-23(29-20(2)10-7-11-21(29)3)15-16-28(27)33-22(4)18-32-31(26)33;1-17-14-18(2)29-26(15-17)28-25(30-31-16-19(3)32(29)30)13-12-24-22-10-5-4-8-20(22)21-9-6-7-11-23(21)27(24)28;1-15-12-18(4)25-22(13-15)24-21(26-27-14-19(5)28(25)26)11-10-17(3)23(24)20-9-7-6-8-16(20)2;1-15-7-6-8-16(2)23(15)18-11-12-22-21(13-18)19-9-4-5-10-20(19)24-25-14-17(3)26(22)24;1-19(2,3)17-12-20-18-15-10-5-4-8-13(15)14-9-6-7-11-16(14)21(17)18;1-10-6-11(2)17-16(7-10)15-8-13(19)4-5-14(15)18-20-9-12(3)21(17)18;1-11-8-12(2)17-16(9-11)14-6-4-5-7-15(14)18-19-10-13(3)20(17)18;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-10(2)6-3-4-9-7(5-6)8(11)12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;;;;/h7-14,16-18H,1-6H3;6-14,16-18H,1-5H3;5-13,15-18H,1-4H3;4-12,14-16H,1-3H3;6-10,12-14H,1-5H3;4-9,11-14H,1-3H3;4-9,11-12H,1-3H3;4,6-9H,1-3H3;4-6,8-10H,1-3H3;2-7,9-10H,1H3;3-5H,1-2H3,(H,11,12);1-4H,(H,8,9);3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;
InChIKeyKSVDTEVDVDEKRF-UHFFFAOYSA-N
MW5780.04 g/mol
LogP65.46
Rot. Bonds12

About CID 160716233

CID 160716233 (PubChem CID 160716233) has the molecular formula C266H224FIr10N23O6-10 and a molecular weight of 5780.04 g/mol.

Molecular Properties

Compound NameCID 160716233
PubChem CID160716233
Molecular FormulaC266H224FIr10N23O6-10
Molecular Weight5780.04 g/mol
Exact Mass5784.43
IUPAC Name—
SMILESCC(=O)C=C(C)O.CC(C)(C)c1cnc2c3[c-]cccc3c3ccccc3n12.CN(C)c1ccnc(C(=O)O)c1.Cc1cc(C)c2c(c1)c1c(-c3ccccc3C)c(C)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1c([c-]cc3c4ccccc4c4ccccc4c31)c1ncc(C)n12.Cc1cc(C)c2c(c1)c1cc(F)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1ncc(C)n12.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1ncc(C)n21.Cc1ccccc1-c1c(C)c[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1ccccc1-c1cc[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1cn2c(n1)c1[c-]ccc(-c3c(C)cccc3C)c1c1cc(-c3c(C)cccc3C)cc(C)c12.Cc1cnc2c3[c-]cccc3c3ccccc3n12.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H29N2.C32H27N2.C31H25N2.C30H21N2.C26H23N2.C24H19N2.C19H17N2.C18H14FN2.C18H15N2.C16H11N2.C8H10N2O2.C6H5NO2.C5H8O2.10Ir/c1-19-10-7-11-20(2)29(19)25-16-23(5)32-28(17-25)31-26(30-21(3)12-8-13-22(30)4)14-9-15-27(31)33-34-24(6)18-35(32)33;1-19-9-6-7-12-25(19)30-22(4)13-15-26-31(30)27-17-24(29-20(2)10-8-11-21(29)3)14-16-28(27)34-23(5)18-33-32(26)34;1-19-9-5-6-12-24(19)25-13-8-14-26-30(25)27-17-23(29-20(2)10-7-11-21(29)3)15-16-28(27)33-22(4)18-32-31(26)33;1-17-14-18(2)29-26(15-17)28-25(30-31-16-19(3)32(29)30)13-12-24-22-10-5-4-8-20(22)21-9-6-7-11-23(21)27(24)28;1-15-12-18(4)25-22(13-15)24-21(26-27-14-19(5)28(25)26)11-10-17(3)23(24)20-9-7-6-8-16(20)2;1-15-7-6-8-16(2)23(15)18-11-12-22-21(13-18)19-9-4-5-10-20(19)24-25-14-17(3)26(22)24;1-19(2,3)17-12-20-18-15-10-5-4-8-13(15)14-9-6-7-11-16(14)21(17)18;1-10-6-11(2)17-16(7-10)15-8-13(19)4-5-14(15)18-20-9-12(3)21(17)18;1-11-8-12(2)17-16(9-11)14-6-4-5-7-15(14)18-19-10-13(3)20(17)18;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-10(2)6-3-4-9-7(5-6)8(11)12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;;;;/h7-14,16-18H,1-6H3;6-14,16-18H,1-5H3;5-13,15-18H,1-4H3;4-12,14-16H,1-3H3;6-10,12-14H,1-5H3;4-9,11-14H,1-3H3;4-9,11-12H,1-3H3;4,6-9H,1-3H3;4-6,8-10H,1-3H3;2-7,9-10H,1H3;3-5H,1-2H3,(H,11,12);1-4H,(H,8,9);3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;
InChIKeyKSVDTEVDVDEKRF-UHFFFAOYSA-N
XLogP65.46
TPSA313.92 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms306
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005780.04
LogP ≤ 565.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze CID 160716233 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9-bis(2,6-dimethylphenyl)-2,5-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59358587
(Z)-4-hydroxypent-3-en-2-one;iridium;5-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358822
CID 161114055
CID 161114055
5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,9-dimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-benzothiazole;8-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(2,4,6-trimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;4-hydroxypent-3-en-2-one;12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;decakis(iridium);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;3-(3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,2-oxazole;2-methyl-8-(3,4,5-trimethylfuran-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;5-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide-2-carbonitrile;2-(2,4,9-trimethyl-11H-pyrazolo[1,5-f]phenanthridin-11-id-8-yl)-1,3-oxazole
CID 158044080
3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160784608
9-(2,6-dimethylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358812
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 158403336
7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358
CID 162009296
CID 162009296
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)selenopheno[3,2-c]pyridine;6-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)selenopheno[3,2-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 160853543
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;bis(4-hydroxypent-3-en-2-one);tris(iridium);7-methyl-2-(3-methylbenzene-6-id-1-yl)quinoline;3-methyl-2-phenylquinoline
CID 157361435

Frequently Asked Questions

What is the IUPAC name of CID 160716233?
The IUPAC name of CID 160716233 (CID 160716233) is not available.
What is the SMILES notation for CID 160716233?
The canonical SMILES for CID 160716233 is CC(=O)C=C(C)O.CC(C)(C)c1cnc2c3[c-]cccc3c3ccccc3n12.CN(C)c1ccnc(C(=O)O)c1.Cc1cc(C)c2c(c1)c1c(-c3ccccc3C)c(C)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1c([c-]cc3c4ccccc4c4ccccc4c31)c1ncc(C)n12.Cc1cc(C)c2c(c1)c1cc(F)c[c-]c1c1ncc(C)n12.Cc1cc(C)c2c(c1)c1ccc[c-]c1c1ncc(C)n12.Cc1cccc(C)c1-c1ccc2c(c1)c1ccc[c-]c1c1ncc(C)n21.Cc1ccccc1-c1c(C)c[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1ccccc1-c1cc[c-]c2c1c1cc(-c3c(C)cccc3C)ccc1n1c(C)cnc21.Cc1cn2c(n1)c1[c-]ccc(-c3c(C)cccc3C)c1c1cc(-c3c(C)cccc3C)cc(C)c12.Cc1cnc2c3[c-]cccc3c3ccccc3n12.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of CID 160716233?
The InChIKey is KSVDTEVDVDEKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N2.C32H27N2.C31H25N2.C30H21N2.C26H23N2.C24H19N2.C19H17N2.C18H14FN2.C18H15N2.C16H11N2.C8H10N2O2.C6H5NO2.C5H8O2.10Ir/c1-19-10-7-11-20(2)29(19)25-16-23(5)32-28(17-25)31-26(30-21(3)12-8-13-22(30)4)14-9-15-27(31)33-34-24(6)18-35(32)33;1-19-9-6-7-12-25(19)30-22(4)13-15-26-31(30)27-17-24(29-20(2)10-8-11-21(29)3)14-16-28(27)34-23(5)18-33-32(26)34;1-19-9-5-6-12-24(19)25-13-8-14-26-30(25)27-17-23(29-20(2)10-7-11-21(29)3)15-16-28(27)33-22(4)18-32-31(26)33;1-17-14-18(2)29-26(15-17)28-25(30-31-16-19(3)32(29)30)13-12-24-22-10-5-4-8-20(22)21-9-6-7-11-23(21)27(24)28;1-15-12-18(4)25-22(13-15)24-21(26-27-14-19(5)28(25)26)11-10-17(3)23(24)20-9-7-6-8-16(20)2;1-15-7-6-8-16(2)23(15)18-11-12-22-21(13-18)19-9-4-5-10-20(19)24-25-14-17(3)26(22)24;1-19(2,3)17-12-20-18-15-10-5-4-8-13(15)14-9-6-7-11-16(14)21(17)18;1-10-6-11(2)17-16(7-10)15-8-13(19)4-5-14(15)18-20-9-12(3)21(17)18;1-11-8-12(2)17-16(9-11)14-6-4-5-7-15(14)18-19-10-13(3)20(17)18;1-11-10-17-16-14-8-3-2-6-12(14)13-7-4-5-9-15(13)18(11)16;1-10(2)6-3-4-9-7(5-6)8(11)12;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;;;;;/h7-14,16-18H,1-6H3;6-14,16-18H,1-5H3;5-13,15-18H,1-4H3;4-12,14-16H,1-3H3;6-10,12-14H,1-5H3;4-9,11-14H,1-3H3;4-9,11-12H,1-3H3;4,6-9H,1-3H3;4-6,8-10H,1-3H3;2-7,9-10H,1H3;3-5H,1-2H3,(H,11,12);1-4H,(H,8,9);3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;.
What are the key properties of CID 160716233?
CID 160716233 has a molecular weight of 5780.04 g/mol, XLogP of 65.46, 12 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160716233 is sourced from PubChem (CID 160716233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).