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

C220H190N2O28+2 — CID 139250106

IUPAC1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(COc2cc(COc3cc(COc4cc(C[n+]5ccc(-c6cc[n+](Cc7cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)c7)cc6)cc5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C220H190N2O28/c1-17-49-161(50-18-1)133-223-197-93-179(94-198(119-197)224-134-162-51-19-2-20-52-162)153-243-213-109-187(110-214(127-213)244-154-180-95-199(225-135-163-53-21-3-22-54-163)120-200(96-180)226-136-164-55-23-4-24-56-164)149-239-193-89-177(90-194(117-193)240-150-188-111-215(245-155-181-97-201(227-137-165-57-25-5-26-58-165)121-202(98-181)228-138-166-59-27-6-28-60-166)128-216(112-188)246-156-182-99-203(229-139-167-61-29-7-30-62-167)122-204(100-182)230-140-168-63-31-8-32-64-168)131-221-85-81-191(82-86-221)192-83-87-222(88-84-192)132-178-91-195(241-151-189-113-217(247-157-183-101-205(231-141-169-65-33-9-34-66-169)123-206(102-183)232-142-170-67-35-10-36-68-170)129-218(114-189)248-158-184-103-207(233-143-171-69-37-11-38-70-171)124-208(104-184)234-144-172-71-39-12-40-72-172)118-196(92-178)242-152-190-115-219(249-159-185-105-209(235-145-173-73-41-13-42-74-173)125-210(106-185)236-146-174-75-43-14-44-76-174)130-220(116-190)250-160-186-107-211(237-147-175-77-45-15-46-78-175)126-212(108-186)238-148-176-79-47-16-48-80-176/h1-130H,131-160H2/q+2
InChIKeyLIMKWQROCVNNNP-UHFFFAOYSA-N
MW3309.93 g/mol
LogP48.24
Rot. Bonds89

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

1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 139250106) has the molecular formula C220H190N2O28+2 and a molecular weight of 3309.93 g/mol. Its IUPAC name is 1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)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(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID139250106
Molecular FormulaC220H190N2O28+2
Molecular Weight3309.93 g/mol
Exact Mass3307.35
IUPAC Name1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(COc2cc(COc3cc(COc4cc(C[n+]5ccc(-c6cc[n+](Cc7cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)c7)cc6)cc5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C220H190N2O28/c1-17-49-161(50-18-1)133-223-197-93-179(94-198(119-197)224-134-162-51-19-2-20-52-162)153-243-213-109-187(110-214(127-213)244-154-180-95-199(225-135-163-53-21-3-22-54-163)120-200(96-180)226-136-164-55-23-4-24-56-164)149-239-193-89-177(90-194(117-193)240-150-188-111-215(245-155-181-97-201(227-137-165-57-25-5-26-58-165)121-202(98-181)228-138-166-59-27-6-28-60-166)128-216(112-188)246-156-182-99-203(229-139-167-61-29-7-30-62-167)122-204(100-182)230-140-168-63-31-8-32-64-168)131-221-85-81-191(82-86-221)192-83-87-222(88-84-192)132-178-91-195(241-151-189-113-217(247-157-183-101-205(231-141-169-65-33-9-34-66-169)123-206(102-183)232-142-170-67-35-10-36-68-170)129-218(114-189)248-158-184-103-207(233-143-171-69-37-11-38-70-171)124-208(104-184)234-144-172-71-39-12-40-72-172)118-196(92-178)242-152-190-115-219(249-159-185-105-209(235-145-173-73-41-13-42-74-173)125-210(106-185)236-146-174-75-43-14-44-76-174)130-220(116-190)250-160-186-107-211(237-147-175-77-45-15-46-78-175)126-212(108-186)238-148-176-79-47-16-48-80-176/h1-130H,131-160H2/q+2
InChIKeyLIMKWQROCVNNNP-UHFFFAOYSA-N
XLogP48.24
TPSA266.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds89
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003309.93
LogP ≤ 548.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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

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Related Compounds

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[3-Ethoxy-5-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methanol;3-(hydroxymethyl)-5-[5-(trifluoromethyl)pyridin-2-yl]oxyphenol
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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)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(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium (CID 139250106) is 1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)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(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)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(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium is c1ccc(COc2cc(COc3cc(COc4cc(C[n+]5ccc(-c6cc[n+](Cc7cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)cc(OCc8cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)cc(OCc9cc(OCc%10ccccc%10)cc(OCc%10ccccc%10)c9)c8)c7)cc6)cc5)cc(OCc5cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)cc(OCc6cc(OCc7ccccc7)cc(OCc7ccccc7)c6)c5)c4)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is LIMKWQROCVNNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C220H190N2O28/c1-17-49-161(50-18-1)133-223-197-93-179(94-198(119-197)224-134-162-51-19-2-20-52-162)153-243-213-109-187(110-214(127-213)244-154-180-95-199(225-135-163-53-21-3-22-54-163)120-200(96-180)226-136-164-55-23-4-24-56-164)149-239-193-89-177(90-194(117-193)240-150-188-111-215(245-155-181-97-201(227-137-165-57-25-5-26-58-165)121-202(98-181)228-138-166-59-27-6-28-60-166)128-216(112-188)246-156-182-99-203(229-139-167-61-29-7-30-62-167)122-204(100-182)230-140-168-63-31-8-32-64-168)131-221-85-81-191(82-86-221)192-83-87-222(88-84-192)132-178-91-195(241-151-189-113-217(247-157-183-101-205(231-141-169-65-33-9-34-66-169)123-206(102-183)232-142-170-67-35-10-36-68-170)129-218(114-189)248-158-184-103-207(233-143-171-69-37-11-38-70-171)124-208(104-184)234-144-172-71-39-12-40-72-172)118-196(92-178)242-152-190-115-219(249-159-185-105-209(235-145-173-73-41-13-42-74-173)125-210(106-185)236-146-174-75-43-14-44-76-174)130-220(116-190)250-160-186-107-211(237-147-175-77-45-15-46-78-175)126-212(108-186)238-148-176-79-47-16-48-80-176/h1-130H,131-160H2/q+2.
What are the key properties of 1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium?
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 3309.93 g/mol, XLogP of 48.24, 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(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]-4-[1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 139250106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).