1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C314H332Ir4N8O23-4 — CID 160823755

IUPAC1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCOC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OCCOc1c[c-]c(-c2nccn2-c2ccccc2C)cc1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.Cc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C234H267N2O23.C32H27N2.C25H21N2.C23H17N2.4Ir/c1-168-87-85-86-128-211(168)236-136-135-235-212(236)190-129-131-210(132-130-190)258-137-138-259-223(247)225(5,159-227(7,215(239)250-17)161-229(9,217(241)252-19)163-231(11,219(243)254-21)165-233(13,221(245)256-23)167-234(14,222(246)257-24)166-232(12,220(244)255-22)164-230(10,218(242)253-20)162-228(8,216(240)251-18)160-226(6,214(238)249-16)158-224(3,4)213(237)248-15)134-133-191(171-90-47-26-48-91-171)140-193(173-94-51-28-52-95-173)142-195(175-98-55-30-56-99-175)144-197(177-102-59-32-60-103-177)146-199(179-106-63-34-64-107-179)148-201(181-110-67-36-68-111-181)150-203(183-114-71-38-72-115-183)152-205(185-118-75-40-76-119-185)154-207(187-122-79-42-80-123-187)156-209(189-126-83-44-84-127-189)157-208(188-124-81-43-82-125-188)155-206(186-120-77-41-78-121-186)153-204(184-116-73-39-74-117-184)151-202(182-112-69-37-70-113-182)149-200(180-108-65-35-66-109-180)147-198(178-104-61-33-62-105-178)145-196(176-100-57-31-58-101-176)143-194(174-96-53-29-54-97-174)141-192(172-92-49-27-50-93-172)139-169(2)170-88-45-25-46-89-170;1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;;;;/h25-129,131-132,135-136,169,191-209H,133-134,137-167H2,1-24H3;5-13,15-20H,1-4H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;;;;/q4*-1;;;;
InChIKeyAEXOKBHYGFZRNF-UHFFFAOYSA-N
MW5355.01 g/mol
LogP74.75
Rot. Bonds103

About 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 160823755) has the molecular formula C314H332Ir4N8O23-4 and a molecular weight of 5355.01 g/mol. Its IUPAC name is 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

Compound Name1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
PubChem CID160823755
Molecular FormulaC314H332Ir4N8O23-4
Molecular Weight5355.01 g/mol
Exact Mass5354.36
IUPAC Name1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
SMILESCOC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OCCOc1c[c-]c(-c2nccn2-c2ccccc2C)cc1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.Cc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C234H267N2O23.C32H27N2.C25H21N2.C23H17N2.4Ir/c1-168-87-85-86-128-211(168)236-136-135-235-212(236)190-129-131-210(132-130-190)258-137-138-259-223(247)225(5,159-227(7,215(239)250-17)161-229(9,217(241)252-19)163-231(11,219(243)254-21)165-233(13,221(245)256-23)167-234(14,222(246)257-24)166-232(12,220(244)255-22)164-230(10,218(242)253-20)162-228(8,216(240)251-18)160-226(6,214(238)249-16)158-224(3,4)213(237)248-15)134-133-191(171-90-47-26-48-91-171)140-193(173-94-51-28-52-95-173)142-195(175-98-55-30-56-99-175)144-197(177-102-59-32-60-103-177)146-199(179-106-63-34-64-107-179)148-201(181-110-67-36-68-111-181)150-203(183-114-71-38-72-115-183)152-205(185-118-75-40-76-119-185)154-207(187-122-79-42-80-123-187)156-209(189-126-83-44-84-127-189)157-208(188-124-81-43-82-125-188)155-206(186-120-77-41-78-121-186)153-204(184-116-73-39-74-117-184)151-202(182-112-69-37-70-113-182)149-200(180-108-65-35-66-109-180)147-198(178-104-61-33-62-105-178)145-196(176-100-57-31-58-101-176)143-194(174-96-53-29-54-97-174)141-192(172-92-49-27-50-93-172)139-169(2)170-88-45-25-46-89-170;1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;;;;/h25-129,131-132,135-136,169,191-209H,133-134,137-167H2,1-24H3;5-13,15-20H,1-4H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;;;;/q4*-1;;;;
InChIKeyAEXOKBHYGFZRNF-UHFFFAOYSA-N
XLogP74.75
TPSA368.25 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds103
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005355.01
LogP ≤ 574.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The IUPAC name of 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 160823755) is 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.
What is the SMILES notation for 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The canonical SMILES for 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is COC(=O)C(C)(C)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OCCOc1c[c-]c(-c2nccn2-c2ccccc2C)cc1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.Cc1cc(C)c(-c2cnc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.Cc1cccc(C)c1-c1cnn2c3[c-]cccc3c3ccccc3c12.Cc1ccccc1-c1cc[c-]c2c1c1ccccc1n1c(-c3ccc(C(C)C)cc3C)cnc21.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
The InChIKey is AEXOKBHYGFZRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C234H267N2O23.C32H27N2.C25H21N2.C23H17N2.4Ir/c1-168-87-85-86-128-211(168)236-136-135-235-212(236)190-129-131-210(132-130-190)258-137-138-259-223(247)225(5,159-227(7,215(239)250-17)161-229(9,217(241)252-19)163-231(11,219(243)254-21)165-233(13,221(245)256-23)167-234(14,222(246)257-24)166-232(12,220(244)255-22)164-230(10,218(242)253-20)162-228(8,216(240)251-18)160-226(6,214(238)249-16)158-224(3,4)213(237)248-15)134-133-191(171-90-47-26-48-91-171)140-193(173-94-51-28-52-95-173)142-195(175-98-55-30-56-99-175)144-197(177-102-59-32-60-103-177)146-199(179-106-63-34-64-107-179)148-201(181-110-67-36-68-111-181)150-203(183-114-71-38-72-115-183)152-205(185-118-75-40-76-119-185)154-207(187-122-79-42-80-123-187)156-209(189-126-83-44-84-127-189)157-208(188-124-81-43-82-125-188)155-206(186-120-77-41-78-121-186)153-204(184-116-73-39-74-117-184)151-202(182-112-69-37-70-113-182)149-200(180-108-65-35-66-109-180)147-198(178-104-61-33-62-105-178)145-196(176-100-57-31-58-101-176)143-194(174-96-53-29-54-97-174)141-192(172-92-49-27-50-93-172)139-169(2)170-88-45-25-46-89-170;1-20(2)23-16-17-25(22(4)18-23)30-19-33-32-28-14-9-13-26(24-11-6-5-10-21(24)3)31(28)27-12-7-8-15-29(27)34(30)32;1-15-9-10-20-19-7-5-6-8-21(19)25-26-14-23(27(25)22(20)13-15)24-17(3)11-16(2)12-18(24)4;1-15-8-7-9-16(2)22(15)20-14-24-25-21-13-6-5-11-18(21)17-10-3-4-12-19(17)23(20)25;;;;/h25-129,131-132,135-136,169,191-209H,133-134,137-167H2,1-24H3;5-13,15-20H,1-4H3;5-7,9-14H,1-4H3;3-12,14H,1-2H3;;;;/q4*-1;;;;.
What are the key properties of 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?
1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 5355.01 g/mol, XLogP of 74.75, 103 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O,3-O,5-O,7-O,9-O,11-O,13-O,15-O,17-O,19-O-decamethyl 21-O-[2-[4-[1-(2-methylphenyl)imidazol-2-yl]benzene-5-id-1-yl]oxyethyl] 1,1,3,5,7,9,11,13,15,17,19,21-dodecamethyl-24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62-icosakis-phenyltrihexacontane-1,3,5,7,9,11,13,15,17,19,21-undecacarboxylate;3-(2,6-dimethylphenyl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;tetrakis(iridium);9-(2-methylphenyl)-3-(2-methyl-4-propan-2-ylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 160823755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).