(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one

C422H310N16O31 — CID 46881224

IUPAC(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one
SMILESO=C1/C(=C/c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5ccc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)CCC/C1=C\c1ccc(OCc2cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4ccc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4OCc4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C422H310N16O31/c439-422-308(208-278-164-202-328(203-165-278)440-264-296-210-344(456-272-304-226-348(458-266-298-214-332(444-250-282-136-174-314(175-137-282)425-392-104-37-5-72-360(392)361-73-6-38-105-393(361)425)234-333(215-298)445-251-283-138-176-315(177-139-283)426-394-106-39-7-74-362(394)363-75-8-40-107-395(363)426)242-349(227-304)459-267-299-216-334(446-252-284-140-178-316(179-141-284)427-396-108-41-9-76-364(396)365-77-10-42-109-397(365)427)235-335(217-299)447-253-285-142-180-317(181-143-285)428-398-110-43-11-78-366(398)367-79-12-44-111-399(367)428)240-346(212-296)462-274-306-230-352(464-270-302-222-340(452-258-290-152-190-322(191-153-290)433-408-120-53-21-88-376(408)377-89-22-54-121-409(377)433)238-341(223-302)453-259-291-154-192-323(193-155-291)434-410-122-55-23-90-378(410)379-91-24-56-123-411(379)434)244-354(232-306)466-276-310-168-206-330(442-248-280-132-170-312(171-133-280)423-388-100-33-1-68-356(388)357-69-2-34-101-389(357)423)246-420(310)468-262-294-160-198-326(199-161-294)437-416-128-61-29-96-384(416)385-97-30-62-129-417(385)437)66-65-67-309(422)209-279-166-204-329(205-167-279)441-265-297-211-345(457-273-305-228-350(460-268-300-218-336(448-254-286-144-182-318(183-145-286)429-400-112-45-13-80-368(400)369-81-14-46-113-401(369)429)236-337(219-300)449-255-287-146-184-319(185-147-287)430-402-114-47-15-82-370(402)371-83-16-48-115-403(371)430)243-351(229-305)461-269-301-220-338(450-256-288-148-186-320(187-149-288)431-404-116-49-17-84-372(404)373-85-18-50-117-405(373)431)237-339(221-301)451-257-289-150-188-321(189-151-289)432-406-118-51-19-86-374(406)375-87-20-52-119-407(375)432)241-347(213-297)463-275-307-231-353(465-271-303-224-342(454-260-292-156-194-324(195-157-292)435-412-124-57-25-92-380(412)381-93-26-58-125-413(381)435)239-343(225-303)455-261-293-158-196-325(197-159-293)436-414-126-59-27-94-382(414)383-95-28-60-127-415(383)436)245-355(233-307)467-277-311-169-207-331(443-249-281-134-172-313(173-135-281)424-390-102-35-3-70-358(390)359-71-4-36-103-391(359)424)247-421(311)469-263-295-162-200-327(201-163-295)438-418-130-63-31-98-386(418)387-99-32-64-131-419(387)438/h1-64,68-247H,65-67,248-277H2/b308-208+,309-209+
InChIKeyNXINGZYGCJJUJR-GLMPXXRZSA-N
MW6101.20 g/mol
LogP101.83
Rot. Bonds108

About (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one

(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one (PubChem CID 46881224) has the molecular formula C422H310N16O31 and a molecular weight of 6101.20 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one
PubChem CID46881224
Molecular FormulaC422H310N16O31
Molecular Weight6101.20 g/mol
Exact Mass6096.32
IUPAC Name(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one
SMILESO=C1/C(=C/c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5ccc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)CCC/C1=C\c1ccc(OCc2cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4ccc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4OCc4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C422H310N16O31/c439-422-308(208-278-164-202-328(203-165-278)440-264-296-210-344(456-272-304-226-348(458-266-298-214-332(444-250-282-136-174-314(175-137-282)425-392-104-37-5-72-360(392)361-73-6-38-105-393(361)425)234-333(215-298)445-251-283-138-176-315(177-139-283)426-394-106-39-7-74-362(394)363-75-8-40-107-395(363)426)242-349(227-304)459-267-299-216-334(446-252-284-140-178-316(179-141-284)427-396-108-41-9-76-364(396)365-77-10-42-109-397(365)427)235-335(217-299)447-253-285-142-180-317(181-143-285)428-398-110-43-11-78-366(398)367-79-12-44-111-399(367)428)240-346(212-296)462-274-306-230-352(464-270-302-222-340(452-258-290-152-190-322(191-153-290)433-408-120-53-21-88-376(408)377-89-22-54-121-409(377)433)238-341(223-302)453-259-291-154-192-323(193-155-291)434-410-122-55-23-90-378(410)379-91-24-56-123-411(379)434)244-354(232-306)466-276-310-168-206-330(442-248-280-132-170-312(171-133-280)423-388-100-33-1-68-356(388)357-69-2-34-101-389(357)423)246-420(310)468-262-294-160-198-326(199-161-294)437-416-128-61-29-96-384(416)385-97-30-62-129-417(385)437)66-65-67-309(422)209-279-166-204-329(205-167-279)441-265-297-211-345(457-273-305-228-350(460-268-300-218-336(448-254-286-144-182-318(183-145-286)429-400-112-45-13-80-368(400)369-81-14-46-113-401(369)429)236-337(219-300)449-255-287-146-184-319(185-147-287)430-402-114-47-15-82-370(402)371-83-16-48-115-403(371)430)243-351(229-305)461-269-301-220-338(450-256-288-148-186-320(187-149-288)431-404-116-49-17-84-372(404)373-85-18-50-117-405(373)431)237-339(221-301)451-257-289-150-188-321(189-151-289)432-406-118-51-19-86-374(406)375-87-20-52-119-407(375)432)241-347(213-297)463-275-307-231-353(465-271-303-224-342(454-260-292-156-194-324(195-157-292)435-412-124-57-25-92-380(412)381-93-26-58-125-413(381)435)239-343(225-303)455-261-293-158-196-325(197-159-293)436-414-126-59-27-94-382(414)383-95-28-60-127-415(383)436)245-355(233-307)467-277-311-169-207-331(443-249-281-134-172-313(173-135-281)424-390-102-35-3-70-358(390)359-71-4-36-103-391(359)424)247-421(311)469-263-295-162-200-327(201-163-295)438-418-130-63-31-98-386(418)387-99-32-64-131-419(387)438/h1-64,68-247H,65-67,248-277H2/b308-208+,309-209+
InChIKeyNXINGZYGCJJUJR-GLMPXXRZSA-N
XLogP101.83
TPSA372.85 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds108
Heavy Atoms469
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006101.20
LogP ≤ 5101.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

Analyze (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one (CID 46881224) is (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one is O=C1/C(=C/c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)c5)cc(OCc5ccc(OCc6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc2)CCC/C1=C\c1ccc(OCc2cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)c3)cc(OCc3cc(OCc4cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc(OCc4ccc(OCc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4OCc4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.
What is the InChIKey of (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one?
The InChIKey is NXINGZYGCJJUJR-GLMPXXRZSA-N. The full InChI is InChI=1S/C422H310N16O31/c439-422-308(208-278-164-202-328(203-165-278)440-264-296-210-344(456-272-304-226-348(458-266-298-214-332(444-250-282-136-174-314(175-137-282)425-392-104-37-5-72-360(392)361-73-6-38-105-393(361)425)234-333(215-298)445-251-283-138-176-315(177-139-283)426-394-106-39-7-74-362(394)363-75-8-40-107-395(363)426)242-349(227-304)459-267-299-216-334(446-252-284-140-178-316(179-141-284)427-396-108-41-9-76-364(396)365-77-10-42-109-397(365)427)235-335(217-299)447-253-285-142-180-317(181-143-285)428-398-110-43-11-78-366(398)367-79-12-44-111-399(367)428)240-346(212-296)462-274-306-230-352(464-270-302-222-340(452-258-290-152-190-322(191-153-290)433-408-120-53-21-88-376(408)377-89-22-54-121-409(377)433)238-341(223-302)453-259-291-154-192-323(193-155-291)434-410-122-55-23-90-378(410)379-91-24-56-123-411(379)434)244-354(232-306)466-276-310-168-206-330(442-248-280-132-170-312(171-133-280)423-388-100-33-1-68-356(388)357-69-2-34-101-389(357)423)246-420(310)468-262-294-160-198-326(199-161-294)437-416-128-61-29-96-384(416)385-97-30-62-129-417(385)437)66-65-67-309(422)209-279-166-204-329(205-167-279)441-265-297-211-345(457-273-305-228-350(460-268-300-218-336(448-254-286-144-182-318(183-145-286)429-400-112-45-13-80-368(400)369-81-14-46-113-401(369)429)236-337(219-300)449-255-287-146-184-319(185-147-287)430-402-114-47-15-82-370(402)371-83-16-48-115-403(371)430)243-351(229-305)461-269-301-220-338(450-256-288-148-186-320(187-149-288)431-404-116-49-17-84-372(404)373-85-18-50-117-405(373)431)237-339(221-301)451-257-289-150-188-321(189-151-289)432-406-118-51-19-86-374(406)375-87-20-52-119-407(375)432)241-347(213-297)463-275-307-231-353(465-271-303-224-342(454-260-292-156-194-324(195-157-292)435-412-124-57-25-92-380(412)381-93-26-58-125-413(381)435)239-343(225-303)455-261-293-158-196-325(197-159-293)436-414-126-59-27-94-382(414)383-95-28-60-127-415(383)436)245-355(233-307)467-277-311-169-207-331(443-249-281-134-172-313(173-135-281)424-390-102-35-3-70-358(390)359-71-4-36-103-391(359)424)247-421(311)469-263-295-162-200-327(201-163-295)438-418-130-63-31-98-386(418)387-99-32-64-131-419(387)438/h1-64,68-247H,65-67,248-277H2/b308-208+,309-209+.
What are the key properties of (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one?
(2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one has a molecular weight of 6101.20 g/mol, XLogP of 101.83, 108 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[[4-[[3-[[3,5-bis[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-[[3-[[2,4-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]-5-[[3,5-bis[(4-carbazol-9-ylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]methylidene]cyclohexan-1-one is sourced from PubChem (CID 46881224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).