1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one

C454H355NO2 — CID 140812401

IUPAC1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one
SMILESCCCCCCCC(=O)C1(C(=O)CCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(Cc5ccccc5)(Cc5ccccc5)c5cc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(-c9ccc%10c(c9)C(Cc9ccccc9)(Cc9ccccc9)c9cc(-c%11ccc%12c(c%11)C(Cc%11ccccc%11)(Cc%11ccccc%11)c%11cc(-c%13ccc%14c(c%13)C(Cc%13ccccc%13)(Cc%13ccccc%13)c%13cc(-c%15ccc%16c(c%15)C(Cc%15ccccc%15)(Cc%15ccccc%15)c%15cc(-c%17ccc%18c(c%17)C(Cc%17ccccc%17)(Cc%17ccccc%17)c%17cc(-c%19ccc%20c(c%19)C(Cc%19ccccc%19)(Cc%19ccccc%19)c%19cc(-c%21ccc%22c(c%21)C(Cc%21ccccc%21)(Cc%21ccccc%21)c%21cc(-c%23ccc%24c(c%23)C(Cc%23ccccc%23)(Cc%23ccccc%23)c%23cc(-c%25ccc%26c(c%25)C(Cc%25ccccc%25)(Cc%25ccccc%25)c%25cc(-c%27ccc%28c(c%27)C(Cc%27ccccc%27)(Cc%27ccccc%27)c%27cc(-c%29ccc%30c(c%29)C(Cc%29ccccc%29)(Cc%29ccccc%29)c%29cc(-c%31ccc%32c(c%31)C(Cc%31ccccc%31)(Cc%31ccccc%31)c%31cc(-c%33ccc%34c(c%33)C(Cc%33ccccc%33)(Cc%33ccccc%33)c%33cc(C)ccc%33-%34)ccc%31-%32)ccc%29-%30)ccc%27-%28)ccc%25-%26)ccc%23-%24)ccc%21-%22)ccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C454H355NO2/c1-5-7-9-11-106-170-437(456)454(438(457)171-107-12-10-8-6-2)435-245-307(4)173-213-403(435)404-243-179-341(275-436(404)454)339-176-210-372(211-177-339)455(370-168-104-43-105-169-370)371-208-174-338(175-209-371)340-178-214-375-376-216-181-344(248-408(376)440(406(375)246-340,278-310-112-48-15-49-113-310)279-311-114-50-16-51-115-311)345-183-218-379-380-220-185-348(252-412(380)442(410(379)250-345,282-314-120-56-19-57-121-314)283-315-122-58-20-59-123-315)349-187-222-383-384-224-189-352(256-416(384)444(414(383)254-349,286-318-128-64-23-65-129-318)287-319-130-66-24-67-131-319)353-191-226-387-388-228-193-356(260-420(388)446(418(387)258-353,290-322-136-72-27-73-137-322)291-323-138-74-28-75-139-323)357-195-230-391-392-232-197-360(264-424(392)448(422(391)262-357,294-326-144-80-31-81-145-326)295-327-146-82-32-83-147-327)361-199-234-395-396-236-201-364(268-428(396)450(426(395)266-361,298-330-152-88-35-89-153-330)299-331-154-90-36-91-155-331)365-203-238-399-400-240-205-368(272-432(400)452(430(399)270-365,302-334-160-96-39-97-161-334)303-335-162-98-40-99-163-335)369-207-242-402-401-241-206-367(273-433(401)453(434(402)274-369,304-336-164-100-41-101-165-336)305-337-166-102-42-103-167-337)366-204-239-398-397-237-202-363(269-429(397)451(431(398)271-366,300-332-156-92-37-93-157-332)301-333-158-94-38-95-159-333)362-200-235-394-393-233-198-359(265-425(393)449(427(394)267-362,296-328-148-84-33-85-149-328)297-329-150-86-34-87-151-329)358-196-231-390-389-229-194-355(261-421(389)447(423(390)263-358,292-324-140-76-29-77-141-324)293-325-142-78-30-79-143-325)354-192-227-386-385-225-190-351(257-417(385)445(419(386)259-354,288-320-132-68-25-69-133-320)289-321-134-70-26-71-135-321)350-188-223-382-381-221-186-347(253-413(381)443(415(382)255-350,284-316-124-60-21-61-125-316)285-317-126-62-22-63-127-317)346-184-219-378-377-217-182-343(249-409(377)441(411(378)251-346,280-312-116-52-17-53-117-312)281-313-118-54-18-55-119-313)342-180-215-374-373-212-172-306(3)244-405(373)439(407(374)247-342,276-308-108-44-13-45-109-308)277-309-110-46-14-47-111-309/h13-105,108-169,172-275H,5-12,106-107,170-171,276-305H2,1-4H3
InChIKeyCEIQOPRDRUPRDR-UHFFFAOYSA-N
MW5856.84 g/mol
LogP109.85
Rot. Bonds93

About 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one

1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one (PubChem CID 140812401) has the molecular formula C454H355NO2 and a molecular weight of 5856.84 g/mol. Its IUPAC name is 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one.

Molecular Properties

Compound Name1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one
PubChem CID140812401
Molecular FormulaC454H355NO2
Molecular Weight5856.84 g/mol
Exact Mass5851.77
IUPAC Name1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one
SMILESCCCCCCCC(=O)C1(C(=O)CCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(Cc5ccccc5)(Cc5ccccc5)c5cc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(-c9ccc%10c(c9)C(Cc9ccccc9)(Cc9ccccc9)c9cc(-c%11ccc%12c(c%11)C(Cc%11ccccc%11)(Cc%11ccccc%11)c%11cc(-c%13ccc%14c(c%13)C(Cc%13ccccc%13)(Cc%13ccccc%13)c%13cc(-c%15ccc%16c(c%15)C(Cc%15ccccc%15)(Cc%15ccccc%15)c%15cc(-c%17ccc%18c(c%17)C(Cc%17ccccc%17)(Cc%17ccccc%17)c%17cc(-c%19ccc%20c(c%19)C(Cc%19ccccc%19)(Cc%19ccccc%19)c%19cc(-c%21ccc%22c(c%21)C(Cc%21ccccc%21)(Cc%21ccccc%21)c%21cc(-c%23ccc%24c(c%23)C(Cc%23ccccc%23)(Cc%23ccccc%23)c%23cc(-c%25ccc%26c(c%25)C(Cc%25ccccc%25)(Cc%25ccccc%25)c%25cc(-c%27ccc%28c(c%27)C(Cc%27ccccc%27)(Cc%27ccccc%27)c%27cc(-c%29ccc%30c(c%29)C(Cc%29ccccc%29)(Cc%29ccccc%29)c%29cc(-c%31ccc%32c(c%31)C(Cc%31ccccc%31)(Cc%31ccccc%31)c%31cc(-c%33ccc%34c(c%33)C(Cc%33ccccc%33)(Cc%33ccccc%33)c%33cc(C)ccc%33-%34)ccc%31-%32)ccc%29-%30)ccc%27-%28)ccc%25-%26)ccc%23-%24)ccc%21-%22)ccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)cc4)cc3)cc21
InChIInChI=1S/C454H355NO2/c1-5-7-9-11-106-170-437(456)454(438(457)171-107-12-10-8-6-2)435-245-307(4)173-213-403(435)404-243-179-341(275-436(404)454)339-176-210-372(211-177-339)455(370-168-104-43-105-169-370)371-208-174-338(175-209-371)340-178-214-375-376-216-181-344(248-408(376)440(406(375)246-340,278-310-112-48-15-49-113-310)279-311-114-50-16-51-115-311)345-183-218-379-380-220-185-348(252-412(380)442(410(379)250-345,282-314-120-56-19-57-121-314)283-315-122-58-20-59-123-315)349-187-222-383-384-224-189-352(256-416(384)444(414(383)254-349,286-318-128-64-23-65-129-318)287-319-130-66-24-67-131-319)353-191-226-387-388-228-193-356(260-420(388)446(418(387)258-353,290-322-136-72-27-73-137-322)291-323-138-74-28-75-139-323)357-195-230-391-392-232-197-360(264-424(392)448(422(391)262-357,294-326-144-80-31-81-145-326)295-327-146-82-32-83-147-327)361-199-234-395-396-236-201-364(268-428(396)450(426(395)266-361,298-330-152-88-35-89-153-330)299-331-154-90-36-91-155-331)365-203-238-399-400-240-205-368(272-432(400)452(430(399)270-365,302-334-160-96-39-97-161-334)303-335-162-98-40-99-163-335)369-207-242-402-401-241-206-367(273-433(401)453(434(402)274-369,304-336-164-100-41-101-165-336)305-337-166-102-42-103-167-337)366-204-239-398-397-237-202-363(269-429(397)451(431(398)271-366,300-332-156-92-37-93-157-332)301-333-158-94-38-95-159-333)362-200-235-394-393-233-198-359(265-425(393)449(427(394)267-362,296-328-148-84-33-85-149-328)297-329-150-86-34-87-151-329)358-196-231-390-389-229-194-355(261-421(389)447(423(390)263-358,292-324-140-76-29-77-141-324)293-325-142-78-30-79-143-325)354-192-227-386-385-225-190-351(257-417(385)445(419(386)259-354,288-320-132-68-25-69-133-320)289-321-134-70-26-71-135-321)350-188-223-382-381-221-186-347(253-413(381)443(415(382)255-350,284-316-124-60-21-61-125-316)285-317-126-62-22-63-127-317)346-184-219-378-377-217-182-343(249-409(377)441(411(378)251-346,280-312-116-52-17-53-117-312)281-313-118-54-18-55-119-313)342-180-215-374-373-212-172-306(3)244-405(373)439(407(374)247-342,276-308-108-44-13-45-109-308)277-309-110-46-14-47-111-309/h13-105,108-169,172-275H,5-12,106-107,170-171,276-305H2,1-4H3
InChIKeyCEIQOPRDRUPRDR-UHFFFAOYSA-N
XLogP109.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds93
Heavy Atoms457
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005856.84
LogP ≤ 5109.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one?
The IUPAC name of 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one (CID 140812401) is 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one.
What is the SMILES notation for 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one?
The canonical SMILES for 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one is CCCCCCCC(=O)C1(C(=O)CCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)C(Cc5ccccc5)(Cc5ccccc5)c5cc(-c7ccc8c(c7)C(Cc7ccccc7)(Cc7ccccc7)c7cc(-c9ccc%10c(c9)C(Cc9ccccc9)(Cc9ccccc9)c9cc(-c%11ccc%12c(c%11)C(Cc%11ccccc%11)(Cc%11ccccc%11)c%11cc(-c%13ccc%14c(c%13)C(Cc%13ccccc%13)(Cc%13ccccc%13)c%13cc(-c%15ccc%16c(c%15)C(Cc%15ccccc%15)(Cc%15ccccc%15)c%15cc(-c%17ccc%18c(c%17)C(Cc%17ccccc%17)(Cc%17ccccc%17)c%17cc(-c%19ccc%20c(c%19)C(Cc%19ccccc%19)(Cc%19ccccc%19)c%19cc(-c%21ccc%22c(c%21)C(Cc%21ccccc%21)(Cc%21ccccc%21)c%21cc(-c%23ccc%24c(c%23)C(Cc%23ccccc%23)(Cc%23ccccc%23)c%23cc(-c%25ccc%26c(c%25)C(Cc%25ccccc%25)(Cc%25ccccc%25)c%25cc(-c%27ccc%28c(c%27)C(Cc%27ccccc%27)(Cc%27ccccc%27)c%27cc(-c%29ccc%30c(c%29)C(Cc%29ccccc%29)(Cc%29ccccc%29)c%29cc(-c%31ccc%32c(c%31)C(Cc%31ccccc%31)(Cc%31ccccc%31)c%31cc(-c%33ccc%34c(c%33)C(Cc%33ccccc%33)(Cc%33ccccc%33)c%33cc(C)ccc%33-%34)ccc%31-%32)ccc%29-%30)ccc%27-%28)ccc%25-%26)ccc%23-%24)ccc%21-%22)ccc%19-%20)ccc%17-%18)ccc%15-%16)ccc%13-%14)ccc%11-%12)ccc9-%10)ccc7-8)ccc5-6)cc4)cc3)cc21.
What is the InChIKey of 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one?
The InChIKey is CEIQOPRDRUPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C454H355NO2/c1-5-7-9-11-106-170-437(456)454(438(457)171-107-12-10-8-6-2)435-245-307(4)173-213-403(435)404-243-179-341(275-436(404)454)339-176-210-372(211-177-339)455(370-168-104-43-105-169-370)371-208-174-338(175-209-371)340-178-214-375-376-216-181-344(248-408(376)440(406(375)246-340,278-310-112-48-15-49-113-310)279-311-114-50-16-51-115-311)345-183-218-379-380-220-185-348(252-412(380)442(410(379)250-345,282-314-120-56-19-57-121-314)283-315-122-58-20-59-123-315)349-187-222-383-384-224-189-352(256-416(384)444(414(383)254-349,286-318-128-64-23-65-129-318)287-319-130-66-24-67-131-319)353-191-226-387-388-228-193-356(260-420(388)446(418(387)258-353,290-322-136-72-27-73-137-322)291-323-138-74-28-75-139-323)357-195-230-391-392-232-197-360(264-424(392)448(422(391)262-357,294-326-144-80-31-81-145-326)295-327-146-82-32-83-147-327)361-199-234-395-396-236-201-364(268-428(396)450(426(395)266-361,298-330-152-88-35-89-153-330)299-331-154-90-36-91-155-331)365-203-238-399-400-240-205-368(272-432(400)452(430(399)270-365,302-334-160-96-39-97-161-334)303-335-162-98-40-99-163-335)369-207-242-402-401-241-206-367(273-433(401)453(434(402)274-369,304-336-164-100-41-101-165-336)305-337-166-102-42-103-167-337)366-204-239-398-397-237-202-363(269-429(397)451(431(398)271-366,300-332-156-92-37-93-157-332)301-333-158-94-38-95-159-333)362-200-235-394-393-233-198-359(265-425(393)449(427(394)267-362,296-328-148-84-33-85-149-328)297-329-150-86-34-87-151-329)358-196-231-390-389-229-194-355(261-421(389)447(423(390)263-358,292-324-140-76-29-77-141-324)293-325-142-78-30-79-143-325)354-192-227-386-385-225-190-351(257-417(385)445(419(386)259-354,288-320-132-68-25-69-133-320)289-321-134-70-26-71-135-321)350-188-223-382-381-221-186-347(253-413(381)443(415(382)255-350,284-316-124-60-21-61-125-316)285-317-126-62-22-63-127-317)346-184-219-378-377-217-182-343(249-409(377)441(411(378)251-346,280-312-116-52-17-53-117-312)281-313-118-54-18-55-119-313)342-180-215-374-373-212-172-306(3)244-405(373)439(407(374)247-342,276-308-108-44-13-45-109-308)277-309-110-46-14-47-111-309/h13-105,108-169,172-275H,5-12,106-107,170-171,276-305H2,1-4H3.
What are the key properties of 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one?
1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one has a molecular weight of 5856.84 g/mol, XLogP of 109.85, 93 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(N-[4-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-[9,9-dibenzyl-7-(9,9-dibenzyl-7-methylfluoren-2-yl)fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]fluoren-2-yl]phenyl]anilino)phenyl]-7-methyl-9-octanoylfluoren-9-yl]octan-1-one is sourced from PubChem (CID 140812401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).