4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine

C342H330B2N6O4 — CID 169036255

IUPAC4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)Cc8cc(-c%10ccc(-c%11cc(-c%12cc(-c%13ccc(-c%14ccc(B%15OC(C)(C)C(C)(C)O%15)cc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)c%14)c(-c%14ccc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(CCCCCCCC)(CCCCCCCC)c%17cc(-c%19ccc(-c%20ccc%21c(c%20)C(C)(C)c%20cc(-c%22ccc%23c(c%22)C(CCCCCCCC)(CCCCCCCC)c%22ccccc%22-%23)ccc%20-%21)cc%19)ccc%17-%18)ccc%15-%16)cc%14)c%13)ncn%12)ccc%11-c%11ccc(B%12OC(C)(C)C(C)(C)O%12)cc%11-c%11cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)c%11)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C342H330B2N6O4/c1-23-31-39-47-55-91-187-339(188-92-56-48-40-32-24-2)312-121-85-83-119-290(312)298-181-154-253(223-320(298)339)249-150-176-295-292-173-145-244(214-314(292)332(9,10)317(295)217-249)231-127-131-233(132-128-231)247-148-179-300-302-183-153-252(222-324(302)341(322(300)220-247,191-95-59-51-43-35-27-5)192-96-60-52-44-36-28-6)243-144-166-277-263(200-243)201-262-199-242(143-165-276(262)277)230-135-139-240(140-136-230)308-212-260(161-171-286(308)288-185-163-270(343-351-335(15,16)336(17,18)352-343)226-310(288)268-204-264(272-111-75-79-115-278(272)282-167-157-256(326-123-87-99-195-345-326)208-304(282)236-103-67-63-68-104-236)202-265(205-268)273-112-76-80-116-279(273)283-168-158-257(327-124-88-100-196-346-327)209-305(283)237-105-69-64-70-106-237)330-228-331(350-229-349-330)261-162-172-287(289-186-164-271(344-353-337(19,20)338(21,22)354-344)227-311(289)269-206-266(274-113-77-81-117-280(274)284-169-159-258(328-125-89-101-197-347-328)210-306(284)238-107-71-65-72-108-238)203-267(207-269)275-114-78-82-118-281(275)285-170-160-259(329-126-90-102-198-348-329)211-307(285)239-109-73-66-74-110-239)309(213-261)241-141-137-235(138-142-241)246-147-175-294-297-178-152-251(219-319(297)334(13,14)316(294)216-246)255-156-184-303-301-180-149-248(221-323(301)342(325(303)225-255,193-97-61-53-45-37-29-7)194-98-62-54-46-38-30-8)234-133-129-232(130-134-234)245-146-174-293-296-177-151-250(218-318(296)333(11,12)315(293)215-245)254-155-182-299-291-120-84-86-122-313(291)340(321(299)224-254,189-93-57-49-41-33-25-3)190-94-58-50-42-34-26-4/h63-90,99-186,195-200,202-229H,23-62,91-98,187-194,201H2,1-22H3
InChIKeyGIIDTZUBABWAAO-UHFFFAOYSA-N
MW4610.06 g/mol
LogP94.89
Rot. Bonds92

About 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine

4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine (PubChem CID 169036255) has the molecular formula C342H330B2N6O4 and a molecular weight of 4610.06 g/mol. Its IUPAC name is 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine
PubChem CID169036255
Molecular FormulaC342H330B2N6O4
Molecular Weight4610.06 g/mol
Exact Mass4606.60
IUPAC Name4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)Cc8cc(-c%10ccc(-c%11cc(-c%12cc(-c%13ccc(-c%14ccc(B%15OC(C)(C)C(C)(C)O%15)cc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)c%14)c(-c%14ccc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(CCCCCCCC)(CCCCCCCC)c%17cc(-c%19ccc(-c%20ccc%21c(c%20)C(C)(C)c%20cc(-c%22ccc%23c(c%22)C(CCCCCCCC)(CCCCCCCC)c%22ccccc%22-%23)ccc%20-%21)cc%19)ccc%17-%18)ccc%15-%16)cc%14)c%13)ncn%12)ccc%11-c%11ccc(B%12OC(C)(C)C(C)(C)O%12)cc%11-c%11cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)c%11)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21
InChIInChI=1S/C342H330B2N6O4/c1-23-31-39-47-55-91-187-339(188-92-56-48-40-32-24-2)312-121-85-83-119-290(312)298-181-154-253(223-320(298)339)249-150-176-295-292-173-145-244(214-314(292)332(9,10)317(295)217-249)231-127-131-233(132-128-231)247-148-179-300-302-183-153-252(222-324(302)341(322(300)220-247,191-95-59-51-43-35-27-5)192-96-60-52-44-36-28-6)243-144-166-277-263(200-243)201-262-199-242(143-165-276(262)277)230-135-139-240(140-136-230)308-212-260(161-171-286(308)288-185-163-270(343-351-335(15,16)336(17,18)352-343)226-310(288)268-204-264(272-111-75-79-115-278(272)282-167-157-256(326-123-87-99-195-345-326)208-304(282)236-103-67-63-68-104-236)202-265(205-268)273-112-76-80-116-279(273)283-168-158-257(327-124-88-100-196-346-327)209-305(283)237-105-69-64-70-106-237)330-228-331(350-229-349-330)261-162-172-287(289-186-164-271(344-353-337(19,20)338(21,22)354-344)227-311(289)269-206-266(274-113-77-81-117-280(274)284-169-159-258(328-125-89-101-197-347-328)210-306(284)238-107-71-65-72-108-238)203-267(207-269)275-114-78-82-118-281(275)285-170-160-259(329-126-90-102-198-348-329)211-307(285)239-109-73-66-74-110-239)309(213-261)241-141-137-235(138-142-241)246-147-175-294-297-178-152-251(219-319(297)334(13,14)316(294)216-246)255-156-184-303-301-180-149-248(221-323(301)342(325(303)225-255,193-97-61-53-45-37-29-7)194-98-62-54-46-38-30-8)234-133-129-232(130-134-234)245-146-174-293-296-177-151-250(218-318(296)333(11,12)315(293)215-245)254-155-182-299-291-120-84-86-122-313(291)340(321(299)224-254,189-93-57-49-41-33-25-3)190-94-58-50-42-34-26-4/h63-90,99-186,195-200,202-229H,23-62,91-98,187-194,201H2,1-22H3
InChIKeyGIIDTZUBABWAAO-UHFFFAOYSA-N
XLogP94.89
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds92
Heavy Atoms354
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004610.06
LogP ≤ 594.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine with MolForge

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Related Compounds

2-(7-Anthracen-9-yl-9,9-difluorofluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-phenanthren-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-difluoro-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyrimidin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[9,9-difluoro-7-(1,3,5-triazin-2-yl)fluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(3,5-dipyridin-2-ylphenyl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-dipyridin-2-yl-2-pyridinyl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 157058771
2-(9,9-Difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 158177755
2-(9,9-Difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
CID 158205176
2-(9,9-Difluoro-6-pyridin-2-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-3-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine;2-[6-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenylpyrimidine
CID 158340108
2-[17'-[5-(4-Isocyanophenyl)pyrimidin-2-yl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]-5-(4-methylphenyl)pyrimidine;2-(4-methylphenyl)-5-[17'-[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyrimidine;2-phenyl-5-[17'-(2-pyridin-4-ylpyrimidin-5-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyrimidine;2-pyridin-2-yl-5-[17'-(2-pyridin-2-ylpyrimidin-5-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyrimidine;2-pyridin-3-yl-5-[17'-(2-pyridin-3-ylpyrimidin-5-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11'-yl]pyrimidine
CID 159089903
2-(9,9-Difluoro-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159148279
2-(9,9-Difluoro-7-naphthalen-1-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenylpyrimidine;2-(9,9-difluoro-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-2-yl]-4,6-diphenylpyrimidine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenylpyrimidine
CID 161398954
2-(9,9-Difluoro-7-pyridin-2-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyridin-3-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-difluoro-7-pyridin-4-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[7-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-2,6-dinaphthalen-2-ylpyrimidine;2-[7-(4,6-diphenyl-2-pyridinyl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(4,6-diphenylpyrimidin-2-yl)-9,9-difluorofluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 161417246
2-[4-[2-[4-(4,6-Dipyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-yl]phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58233314
2-[2'-(4,6-Dipyridin-2-ylpyrimidin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-4,6-dipyridin-2-ylpyrimidine
CID 58273826
2,4-Bis(4-tert-butylphenyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-[6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 58280814
4-[21-(3-Phenyl-2-pyridinyl)-28-(3-pyridin-2-yl-2-pyridinyl)-14-(5-pyridin-2-ylpyrimidin-4-yl)-3-nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaenyl]-5-pyridin-2-ylpyrimidine
CID 58282313

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine?
The IUPAC name of 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine (CID 169036255) is 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7c(c6)C(CCCCCCCC)(CCCCCCCC)c6cc(-c8ccc9c(c8)Cc8cc(-c%10ccc(-c%11cc(-c%12cc(-c%13ccc(-c%14ccc(B%15OC(C)(C)C(C)(C)O%15)cc%14-c%14cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)cc(-c%15ccccc%15-c%15ccc(-c%16ccccn%16)cc%15-c%15ccccc%15)c%14)c(-c%14ccc(-c%15ccc%16c(c%15)C(C)(C)c%15cc(-c%17ccc%18c(c%17)C(CCCCCCCC)(CCCCCCCC)c%17cc(-c%19ccc(-c%20ccc%21c(c%20)C(C)(C)c%20cc(-c%22ccc%23c(c%22)C(CCCCCCCC)(CCCCCCCC)c%22ccccc%22-%23)ccc%20-%21)cc%19)ccc%17-%18)ccc%15-%16)cc%14)c%13)ncn%12)ccc%11-c%11ccc(B%12OC(C)(C)C(C)(C)O%12)cc%11-c%11cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)cc(-c%12ccccc%12-c%12ccc(-c%13ccccn%13)cc%12-c%12ccccc%12)c%11)cc%10)ccc8-9)ccc6-7)cc5)ccc3-4)cc21.
What is the InChIKey of 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine?
The InChIKey is GIIDTZUBABWAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C342H330B2N6O4/c1-23-31-39-47-55-91-187-339(188-92-56-48-40-32-24-2)312-121-85-83-119-290(312)298-181-154-253(223-320(298)339)249-150-176-295-292-173-145-244(214-314(292)332(9,10)317(295)217-249)231-127-131-233(132-128-231)247-148-179-300-302-183-153-252(222-324(302)341(322(300)220-247,191-95-59-51-43-35-27-5)192-96-60-52-44-36-28-6)243-144-166-277-263(200-243)201-262-199-242(143-165-276(262)277)230-135-139-240(140-136-230)308-212-260(161-171-286(308)288-185-163-270(343-351-335(15,16)336(17,18)352-343)226-310(288)268-204-264(272-111-75-79-115-278(272)282-167-157-256(326-123-87-99-195-345-326)208-304(282)236-103-67-63-68-104-236)202-265(205-268)273-112-76-80-116-279(273)283-168-158-257(327-124-88-100-196-346-327)209-305(283)237-105-69-64-70-106-237)330-228-331(350-229-349-330)261-162-172-287(289-186-164-271(344-353-337(19,20)338(21,22)354-344)227-311(289)269-206-266(274-113-77-81-117-280(274)284-169-159-258(328-125-89-101-197-347-328)210-306(284)238-107-71-65-72-108-238)203-267(207-269)275-114-78-82-118-281(275)285-170-160-259(329-126-90-102-198-348-329)211-307(285)239-109-73-66-74-110-239)309(213-261)241-141-137-235(138-142-241)246-147-175-294-297-178-152-251(219-319(297)334(13,14)316(294)216-246)255-156-184-303-301-180-149-248(221-323(301)342(325(303)225-255,193-97-61-53-45-37-29-7)194-98-62-54-46-38-30-8)234-133-129-232(130-134-234)245-146-174-293-296-177-151-250(218-318(296)333(11,12)315(293)215-245)254-155-182-299-291-120-84-86-122-313(291)340(321(299)224-254,189-93-57-49-41-33-25-3)190-94-58-50-42-34-26-4/h63-90,99-186,195-200,202-229H,23-62,91-98,187-194,201H2,1-22H3.
What are the key properties of 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine?
4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine has a molecular weight of 4610.06 g/mol, XLogP of 94.89, 92 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-6-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9H-fluoren-2-yl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 169036255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).