3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

C498H339IrN26O10 — CID 58099794

IUPAC3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3]
InChIInChI=1S/C462H305N22O10.2C18H17N2.Ir/c1-6-279(282-77-67-87-321(235-282)465-421-147-57-27-117-361(421)371-245-292(161-191-431(371)465)302-171-201-441-381(255-302)391-265-331(181-211-451(391)485-441)475-401-127-37-7-97-341(401)342-98-8-38-128-402(342)475)226-313(284-79-69-89-323(237-284)467-423-149-59-29-119-363(423)373-247-294(163-193-433(373)467)304-173-203-443-383(257-304)393-267-333(183-213-453(393)487-443)477-405-131-41-11-101-345(405)346-102-12-42-132-406(346)477)228-315(286-81-71-91-325(239-286)469-425-151-61-31-121-365(425)375-249-296(165-195-435(375)469)306-175-205-445-385(259-306)395-269-335(185-215-455(395)489-445)479-409-135-45-15-105-349(409)350-106-16-46-136-410(350)479)230-317(288-83-73-93-327(241-288)471-427-153-63-33-123-367(427)377-251-298(167-197-437(377)471)308-177-207-447-387(261-308)397-271-337(187-217-457(397)491-447)481-413-139-49-19-109-353(413)354-110-20-50-140-414(354)481)232-319(290-85-75-95-329(243-290)473-429-155-65-35-125-369(429)379-253-300(169-199-439(379)473)310-179-209-449-389(263-310)399-273-339(189-219-459(399)493-449)483-417-143-53-23-113-357(417)358-114-24-54-144-418(358)483)234-320(291-86-76-96-330(244-291)474-430-156-66-36-126-370(430)380-254-301(170-200-440(380)474)311-180-210-450-390(264-311)400-274-340(190-220-460(400)494-450)484-419-145-55-25-115-359(419)360-116-26-56-146-420(360)484)233-318(289-84-74-94-328(242-289)472-428-154-64-34-124-368(428)378-252-299(168-198-438(378)472)309-178-208-448-388(262-309)398-272-338(188-218-458(398)492-448)482-415-141-51-21-111-355(415)356-112-22-52-142-416(356)482)231-316(287-82-72-92-326(240-287)470-426-152-62-32-122-366(426)376-250-297(166-196-436(376)470)307-176-206-446-386(260-307)396-270-336(186-216-456(396)490-446)480-411-137-47-17-107-351(411)352-108-18-48-138-412(352)480)229-314(285-80-70-90-324(238-285)468-424-150-60-30-120-364(424)374-248-295(164-194-434(374)468)305-174-204-444-384(258-305)394-268-334(184-214-454(394)488-444)478-407-133-43-13-103-347(407)348-104-14-44-134-408(348)478)227-312(225-276(3)280-157-159-281(160-158-280)462-463-221-222-464(462)461-277(4)223-275(2)224-278(461)5)283-78-68-88-322(236-283)466-422-148-58-28-118-362(422)372-246-293(162-192-432(372)466)303-172-202-442-382(256-303)392-266-332(182-212-452(392)486-442)476-403-129-39-9-99-343(403)344-100-10-40-130-404(344)476;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-159,161-224,235-274,276,279,312-320H,6,225-234H2,1-5H3;2*4-7,9-12H,1-3H3;/q3*-1;+3
InChIKeyGOYYUUUSWQZEKX-UHFFFAOYSA-N
MW7039.58 g/mol
LogP133.65
Rot. Bonds68

About 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)

3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (PubChem CID 58099794) has the molecular formula C498H339IrN26O10 and a molecular weight of 7039.58 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
PubChem CID58099794
Molecular FormulaC498H339IrN26O10
Molecular Weight7039.58 g/mol
Exact Mass7034.64
IUPAC Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)
SMILESCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3]
InChIInChI=1S/C462H305N22O10.2C18H17N2.Ir/c1-6-279(282-77-67-87-321(235-282)465-421-147-57-27-117-361(421)371-245-292(161-191-431(371)465)302-171-201-441-381(255-302)391-265-331(181-211-451(391)485-441)475-401-127-37-7-97-341(401)342-98-8-38-128-402(342)475)226-313(284-79-69-89-323(237-284)467-423-149-59-29-119-363(423)373-247-294(163-193-433(373)467)304-173-203-443-383(257-304)393-267-333(183-213-453(393)487-443)477-405-131-41-11-101-345(405)346-102-12-42-132-406(346)477)228-315(286-81-71-91-325(239-286)469-425-151-61-31-121-365(425)375-249-296(165-195-435(375)469)306-175-205-445-385(259-306)395-269-335(185-215-455(395)489-445)479-409-135-45-15-105-349(409)350-106-16-46-136-410(350)479)230-317(288-83-73-93-327(241-288)471-427-153-63-33-123-367(427)377-251-298(167-197-437(377)471)308-177-207-447-387(261-308)397-271-337(187-217-457(397)491-447)481-413-139-49-19-109-353(413)354-110-20-50-140-414(354)481)232-319(290-85-75-95-329(243-290)473-429-155-65-35-125-369(429)379-253-300(169-199-439(379)473)310-179-209-449-389(263-310)399-273-339(189-219-459(399)493-449)483-417-143-53-23-113-357(417)358-114-24-54-144-418(358)483)234-320(291-86-76-96-330(244-291)474-430-156-66-36-126-370(430)380-254-301(170-200-440(380)474)311-180-210-450-390(264-311)400-274-340(190-220-460(400)494-450)484-419-145-55-25-115-359(419)360-116-26-56-146-420(360)484)233-318(289-84-74-94-328(242-289)472-428-154-64-34-124-368(428)378-252-299(168-198-438(378)472)309-178-208-448-388(262-309)398-272-338(188-218-458(398)492-448)482-415-141-51-21-111-355(415)356-112-22-52-142-416(356)482)231-316(287-82-72-92-326(240-287)470-426-152-62-32-122-366(426)376-250-297(166-196-436(376)470)307-176-206-446-386(260-307)396-270-336(186-216-456(396)490-446)480-411-137-47-17-107-351(411)352-108-18-48-138-412(352)480)229-314(285-80-70-90-324(238-285)468-424-150-60-30-120-364(424)374-248-295(164-194-434(374)468)305-174-204-444-384(258-305)394-268-334(184-214-454(394)488-444)478-407-133-43-13-103-347(407)348-104-14-44-134-408(348)478)227-312(225-276(3)280-157-159-281(160-158-280)462-463-221-222-464(462)461-277(4)223-275(2)224-278(461)5)283-78-68-88-322(236-283)466-422-148-58-28-118-362(422)372-246-293(162-192-432(372)466)303-172-202-442-382(256-303)392-266-332(182-212-452(392)486-442)476-403-129-39-9-99-343(403)344-100-10-40-130-404(344)476;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-159,161-224,235-274,276,279,312-320H,6,225-234H2,1-5H3;2*4-7,9-12H,1-3H3;/q3*-1;+3
InChIKeyGOYYUUUSWQZEKX-UHFFFAOYSA-N
XLogP133.65
TPSA283.46 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds68
Heavy Atoms535
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007039.58
LogP ≤ 5133.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) with MolForge

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Related Compounds

7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 59358466
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 59359359
7-[8-(4-Fluorocarbazol-9-yl)dibenzofuran-4-yl]-10-phenylindolo[1,2-a]benzimidazole
CID 121419656
2-[8-(4-Fluorocarbazol-9-yl)dibenzofuran-2-yl]-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 121419657
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-(1-methylbenzimidazol-5-yl)-6-(trifluoromethyl)carbazole
CID 134343668
1-(2,6-diphenylphenyl)-2-[5-(4-fluorophenyl)-9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl]benzimidazole;1-(2,4-diphenylphenyl)-2-[7-(2-fluorophenyl)-1-phenyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;tris(iridium);tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157463071
2-(4-tert-butylphenyl)-5-[4-[4-(2-methylbutyl)phenyl]phenyl]-1,3,4-oxadiazole;7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;9-[3-carbazol-9-yl-5-[4-(2-methylbutyl)phenyl]phenyl]carbazole;1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 157590155
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;3-dibenzofuran-4-yl-1-methyl-3H-pyrrol-1-ium;iridium;iridium(3+);methanol;oxolane;bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);trifluoromethanesulfonic acid;iodide
CID 157844496
CID 157919034
CID 157919034
4-cyclohexyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;8-[1-(2,6-diethyl-4-methylphenyl)imidazol-2-yl]-3,4-dimethyl-2,3,4,7-tetrahydropyrano[3,2-b]pyridin-7-ide;8-[1-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenyl]imidazol-2-yl]-3-methyl-4,7-dihydro-2H-1,3-benzoxazin-7-ide;pentakis(iridium);4-phenyl-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide;4-(trifluoromethyl)-8-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-3,7-dihydro-2H-1,4-benzoxazin-7-ide
CID 158018465
1-(4-tert-butylphenyl)-2-(8-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2,6-dimethyl-4-pyridinyl)-2-(7-fluoro-1-methyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)-1-naphthalen-1-ylbenzimidazole;2-(7-fluoro-8-phenyl-3H-dibenzofuran-3-id-4-yl)-1-(4-phenylphenyl)benzimidazole;1-(4-fluoro-3-phenylphenyl)-2-[1-fluoro-7-(2-phenylpropan-2-yl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;octakis(iridium);1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-naphthalen-2-yl-2-(1,6,8-trifluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;octakis(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 158079780
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenylpyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158170112

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) (CID 58099794) is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole).
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is CCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(C)c1c[c-]c(-c2nccn2-c2c(C)cc(C)cc2C)cc1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1)c1cccc(-n2c3ccccc3c3cc(-c4ccc5oc6ccc(-n7c8ccccc8c8ccccc87)cc6c5c4)ccc32)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.[Ir+3].
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
The InChIKey is GOYYUUUSWQZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C462H305N22O10.2C18H17N2.Ir/c1-6-279(282-77-67-87-321(235-282)465-421-147-57-27-117-361(421)371-245-292(161-191-431(371)465)302-171-201-441-381(255-302)391-265-331(181-211-451(391)485-441)475-401-127-37-7-97-341(401)342-98-8-38-128-402(342)475)226-313(284-79-69-89-323(237-284)467-423-149-59-29-119-363(423)373-247-294(163-193-433(373)467)304-173-203-443-383(257-304)393-267-333(183-213-453(393)487-443)477-405-131-41-11-101-345(405)346-102-12-42-132-406(346)477)228-315(286-81-71-91-325(239-286)469-425-151-61-31-121-365(425)375-249-296(165-195-435(375)469)306-175-205-445-385(259-306)395-269-335(185-215-455(395)489-445)479-409-135-45-15-105-349(409)350-106-16-46-136-410(350)479)230-317(288-83-73-93-327(241-288)471-427-153-63-33-123-367(427)377-251-298(167-197-437(377)471)308-177-207-447-387(261-308)397-271-337(187-217-457(397)491-447)481-413-139-49-19-109-353(413)354-110-20-50-140-414(354)481)232-319(290-85-75-95-329(243-290)473-429-155-65-35-125-369(429)379-253-300(169-199-439(379)473)310-179-209-449-389(263-310)399-273-339(189-219-459(399)493-449)483-417-143-53-23-113-357(417)358-114-24-54-144-418(358)483)234-320(291-86-76-96-330(244-291)474-430-156-66-36-126-370(430)380-254-301(170-200-440(380)474)311-180-210-450-390(264-311)400-274-340(190-220-460(400)494-450)484-419-145-55-25-115-359(419)360-116-26-56-146-420(360)484)233-318(289-84-74-94-328(242-289)472-428-154-64-34-124-368(428)378-252-299(168-198-438(378)472)309-178-208-448-388(262-309)398-272-338(188-218-458(398)492-448)482-415-141-51-21-111-355(415)356-112-22-52-142-416(356)482)231-316(287-82-72-92-326(240-287)470-426-152-62-32-122-366(426)376-250-297(166-196-436(376)470)307-176-206-446-386(260-307)396-270-336(186-216-456(396)490-446)480-411-137-47-17-107-351(411)352-108-18-48-138-412(352)480)229-314(285-80-70-90-324(238-285)468-424-150-60-30-120-364(424)374-248-295(164-194-434(374)468)305-174-204-444-384(258-305)394-268-334(184-214-454(394)488-444)478-407-133-43-13-103-347(407)348-104-14-44-134-408(348)478)227-312(225-276(3)280-157-159-281(160-158-280)462-463-221-222-464(462)461-277(4)223-275(2)224-278(461)5)283-78-68-88-322(236-283)466-422-148-58-28-118-362(422)372-246-293(162-192-432(372)466)303-172-202-442-382(256-303)392-266-332(182-212-452(392)486-442)476-403-129-39-9-99-343(403)344-100-10-40-130-404(344)476;2*1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;/h7-159,161-224,235-274,276,279,312-320H,6,225-234H2,1-5H3;2*4-7,9-12H,1-3H3;/q3*-1;+3.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole)?
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) has a molecular weight of 7039.58 g/mol, XLogP of 133.65, 68 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[3-[3,5,7,9,11,13-hexakis[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-1-[2,4,6-tris[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]phenyl]-8-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]nonyl]pentadecyl]phenyl]carbazole;iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole) is sourced from PubChem (CID 58099794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).