1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium

C284H222N2O28+2 — CID 139250107

IUPAC1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc2cc(COc3cc(COc4cc(COc5cc(C[n+]6ccc(-c7cc[n+](Cc8cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)c8)cc7)cc6)cc(OCc6cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)c6)c5)cc(OCc5cc(OCc6ccc7ccccc7c6)cc(OCc6ccc7ccccc7c6)c5)c4)cc(OCc4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C284H222N2O28/c1-17-49-241-105-193(65-81-223(241)33-1)165-287-261-125-211(126-262(151-261)288-166-194-66-82-224-34-2-18-50-242(224)106-194)185-307-277-141-219(142-278(159-277)308-186-212-127-263(289-167-195-67-83-225-35-3-19-51-243(225)107-195)152-264(128-212)290-168-196-68-84-226-36-4-20-52-244(226)108-196)181-303-257-121-209(122-258(149-257)304-182-220-143-279(309-187-213-129-265(291-169-197-69-85-227-37-5-21-53-245(227)109-197)153-266(130-213)292-170-198-70-86-228-38-6-22-54-246(228)110-198)160-280(144-220)310-188-214-131-267(293-171-199-71-87-229-39-7-23-55-247(229)111-199)154-268(132-214)294-172-200-72-88-230-40-8-24-56-248(230)112-200)163-285-101-97-239(98-102-285)240-99-103-286(104-100-240)164-210-123-259(305-183-221-145-281(311-189-215-133-269(295-173-201-73-89-231-41-9-25-57-249(231)113-201)155-270(134-215)296-174-202-74-90-232-42-10-26-58-250(232)114-202)161-282(146-221)312-190-216-135-271(297-175-203-75-91-233-43-11-27-59-251(233)115-203)156-272(136-216)298-176-204-76-92-234-44-12-28-60-252(234)116-204)150-260(124-210)306-184-222-147-283(313-191-217-137-273(299-177-205-77-93-235-45-13-29-61-253(235)117-205)157-274(138-217)300-178-206-78-94-236-46-14-30-62-254(236)118-206)162-284(148-222)314-192-218-139-275(301-179-207-79-95-237-47-15-31-63-255(237)119-207)158-276(140-218)302-180-208-80-96-238-48-16-32-64-256(238)120-208/h1-162H,163-192H2/q+2
InChIKeyITBNQFLOQMYLTO-UHFFFAOYSA-N
MW4110.89 g/mol
LogP66.69
Rot. Bonds89

About 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium

1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 139250107) has the molecular formula C284H222N2O28+2 and a molecular weight of 4110.89 g/mol. Its IUPAC name is 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID139250107
Molecular FormulaC284H222N2O28+2
Molecular Weight4110.89 g/mol
Exact Mass4107.60
IUPAC Name1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc2cc(COc3cc(COc4cc(COc5cc(C[n+]6ccc(-c7cc[n+](Cc8cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)c8)cc7)cc6)cc(OCc6cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)c6)c5)cc(OCc5cc(OCc6ccc7ccccc7c6)cc(OCc6ccc7ccccc7c6)c5)c4)cc(OCc4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C284H222N2O28/c1-17-49-241-105-193(65-81-223(241)33-1)165-287-261-125-211(126-262(151-261)288-166-194-66-82-224-34-2-18-50-242(224)106-194)185-307-277-141-219(142-278(159-277)308-186-212-127-263(289-167-195-67-83-225-35-3-19-51-243(225)107-195)152-264(128-212)290-168-196-68-84-226-36-4-20-52-244(226)108-196)181-303-257-121-209(122-258(149-257)304-182-220-143-279(309-187-213-129-265(291-169-197-69-85-227-37-5-21-53-245(227)109-197)153-266(130-213)292-170-198-70-86-228-38-6-22-54-246(228)110-198)160-280(144-220)310-188-214-131-267(293-171-199-71-87-229-39-7-23-55-247(229)111-199)154-268(132-214)294-172-200-72-88-230-40-8-24-56-248(230)112-200)163-285-101-97-239(98-102-285)240-99-103-286(104-100-240)164-210-123-259(305-183-221-145-281(311-189-215-133-269(295-173-201-73-89-231-41-9-25-57-249(231)113-201)155-270(134-215)296-174-202-74-90-232-42-10-26-58-250(232)114-202)161-282(146-221)312-190-216-135-271(297-175-203-75-91-233-43-11-27-59-251(233)115-203)156-272(136-216)298-176-204-76-92-234-44-12-28-60-252(234)116-204)150-260(124-210)306-184-222-147-283(313-191-217-137-273(299-177-205-77-93-235-45-13-29-61-253(235)117-205)157-274(138-217)300-178-206-78-94-236-46-14-30-62-254(236)118-206)162-284(148-222)314-192-218-139-275(301-179-207-79-95-237-47-15-31-63-255(237)119-207)158-276(140-218)302-180-208-80-96-238-48-16-32-64-256(238)120-208/h1-162H,163-192H2/q+2
InChIKeyITBNQFLOQMYLTO-UHFFFAOYSA-N
XLogP66.69
TPSA266.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds89
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004110.89
LogP ≤ 566.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium (CID 139250107) is 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium is c1ccc2cc(COc3cc(COc4cc(COc5cc(C[n+]6ccc(-c7cc[n+](Cc8cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)cc(OCc9cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)cc(OCc%10cc(OCc%11ccc%12ccccc%12c%11)cc(OCc%11ccc%12ccccc%12c%11)c%10)c9)c8)cc7)cc6)cc(OCc6cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)cc(OCc7cc(OCc8ccc9ccccc9c8)cc(OCc8ccc9ccccc9c8)c7)c6)c5)cc(OCc5cc(OCc6ccc7ccccc7c6)cc(OCc6ccc7ccccc7c6)c5)c4)cc(OCc4ccc5ccccc5c4)c3)ccc2c1.
What is the InChIKey of 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is ITBNQFLOQMYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C284H222N2O28/c1-17-49-241-105-193(65-81-223(241)33-1)165-287-261-125-211(126-262(151-261)288-166-194-66-82-224-34-2-18-50-242(224)106-194)185-307-277-141-219(142-278(159-277)308-186-212-127-263(289-167-195-67-83-225-35-3-19-51-243(225)107-195)152-264(128-212)290-168-196-68-84-226-36-4-20-52-244(226)108-196)181-303-257-121-209(122-258(149-257)304-182-220-143-279(309-187-213-129-265(291-169-197-69-85-227-37-5-21-53-245(227)109-197)153-266(130-213)292-170-198-70-86-228-38-6-22-54-246(228)110-198)160-280(144-220)310-188-214-131-267(293-171-199-71-87-229-39-7-23-55-247(229)111-199)154-268(132-214)294-172-200-72-88-230-40-8-24-56-248(230)112-200)163-285-101-97-239(98-102-285)240-99-103-286(104-100-240)164-210-123-259(305-183-221-145-281(311-189-215-133-269(295-173-201-73-89-231-41-9-25-57-249(231)113-201)155-270(134-215)296-174-202-74-90-232-42-10-26-58-250(232)114-202)161-282(146-221)312-190-216-135-271(297-175-203-75-91-233-43-11-27-59-251(233)115-203)156-272(136-216)298-176-204-76-92-234-44-12-28-60-252(234)116-204)150-260(124-210)306-184-222-147-283(313-191-217-137-273(299-177-205-77-93-235-45-13-29-61-253(235)117-205)157-274(138-217)300-178-206-78-94-236-46-14-30-62-254(236)118-206)162-284(148-222)314-192-218-139-275(301-179-207-79-95-237-47-15-31-63-255(237)119-207)158-276(140-218)302-180-208-80-96-238-48-16-32-64-256(238)120-208/h1-162H,163-192H2/q+2.
What are the key properties of 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 4110.89 g/mol, XLogP of 66.69, 89 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(naphthalen-2-ylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 139250107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).