[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium

C216H228N8O16Si+8 — CID 101089892

IUPAC[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)Cc1cc(C[N+](C)(C)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc([Si](c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)(c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C216H228N8O16Si/c1-217(2,141-189-101-197(225-149-165-65-33-17-34-66-165)125-198(102-189)226-150-166-67-35-18-36-68-166)133-181-97-182(134-218(3,4)142-190-103-199(227-151-167-69-37-19-38-70-167)126-200(104-190)228-152-168-71-39-20-40-72-168)118-213(117-181)241(214-119-183(135-219(5,6)143-191-105-201(229-153-169-73-41-21-42-74-169)127-202(106-191)230-154-170-75-43-22-44-76-170)98-184(120-214)136-220(7,8)144-192-107-203(231-155-171-77-45-23-46-78-171)128-204(108-192)232-156-172-79-47-24-48-80-172,215-121-185(137-221(9,10)145-193-109-205(233-157-173-81-49-25-50-82-173)129-206(110-193)234-158-174-83-51-26-52-84-174)99-186(122-215)138-222(11,12)146-194-111-207(235-159-175-85-53-27-54-86-175)130-208(112-194)236-160-176-87-55-28-56-88-176)216-123-187(139-223(13,14)147-195-113-209(237-161-177-89-57-29-58-90-177)131-210(114-195)238-162-178-91-59-30-60-92-178)100-188(124-216)140-224(15,16)148-196-115-211(239-163-179-93-61-31-62-94-179)132-212(116-196)240-164-180-95-63-32-64-96-180/h17-132H,133-164H2,1-16H3/q+8
InChIKeyIZAKAROGGZNFNZ-UHFFFAOYSA-N
MW3220.33 g/mol
LogP42.54
Rot. Bonds84

About [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium

[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium (PubChem CID 101089892) has the molecular formula C216H228N8O16Si+8 and a molecular weight of 3220.33 g/mol. Its IUPAC name is [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium.

Molecular Properties

Compound Name[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium
PubChem CID101089892
Molecular FormulaC216H228N8O16Si+8
Molecular Weight3220.33 g/mol
Exact Mass3217.70
IUPAC Name[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium
SMILESC[N+](C)(Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)Cc1cc(C[N+](C)(C)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc([Si](c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)(c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C216H228N8O16Si/c1-217(2,141-189-101-197(225-149-165-65-33-17-34-66-165)125-198(102-189)226-150-166-67-35-18-36-68-166)133-181-97-182(134-218(3,4)142-190-103-199(227-151-167-69-37-19-38-70-167)126-200(104-190)228-152-168-71-39-20-40-72-168)118-213(117-181)241(214-119-183(135-219(5,6)143-191-105-201(229-153-169-73-41-21-42-74-169)127-202(106-191)230-154-170-75-43-22-44-76-170)98-184(120-214)136-220(7,8)144-192-107-203(231-155-171-77-45-23-46-78-171)128-204(108-192)232-156-172-79-47-24-48-80-172,215-121-185(137-221(9,10)145-193-109-205(233-157-173-81-49-25-50-82-173)129-206(110-193)234-158-174-83-51-26-52-84-174)99-186(122-215)138-222(11,12)146-194-111-207(235-159-175-85-53-27-54-86-175)130-208(112-194)236-160-176-87-55-28-56-88-176)216-123-187(139-223(13,14)147-195-113-209(237-161-177-89-57-29-58-90-177)131-210(114-195)238-162-178-91-59-30-60-92-178)100-188(124-216)140-224(15,16)148-196-115-211(239-163-179-93-61-31-62-94-179)132-212(116-196)240-164-180-95-63-32-64-96-180/h17-132H,133-164H2,1-16H3/q+8
InChIKeyIZAKAROGGZNFNZ-UHFFFAOYSA-N
XLogP42.54
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds84
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003220.33
LogP ≤ 542.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium?
The IUPAC name of [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium (CID 101089892) is [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium.
What is the SMILES notation for [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium?
The canonical SMILES for [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium is C[N+](C)(Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)Cc1cc(C[N+](C)(C)Cc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc([Si](c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)(c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c2cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc(C[N+](C)(C)Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)c2)c1.
What is the InChIKey of [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium?
The InChIKey is IZAKAROGGZNFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C216H228N8O16Si/c1-217(2,141-189-101-197(225-149-165-65-33-17-34-66-165)125-198(102-189)226-150-166-67-35-18-36-68-166)133-181-97-182(134-218(3,4)142-190-103-199(227-151-167-69-37-19-38-70-167)126-200(104-190)228-152-168-71-39-20-40-72-168)118-213(117-181)241(214-119-183(135-219(5,6)143-191-105-201(229-153-169-73-41-21-42-74-169)127-202(106-191)230-154-170-75-43-22-44-76-170)98-184(120-214)136-220(7,8)144-192-107-203(231-155-171-77-45-23-46-78-171)128-204(108-192)232-156-172-79-47-24-48-80-172,215-121-185(137-221(9,10)145-193-109-205(233-157-173-81-49-25-50-82-173)129-206(110-193)234-158-174-83-51-26-52-84-174)99-186(122-215)138-222(11,12)146-194-111-207(235-159-175-85-53-27-54-86-175)130-208(112-194)236-160-176-87-55-28-56-88-176)216-123-187(139-223(13,14)147-195-113-209(237-161-177-89-57-29-58-90-177)131-210(114-195)238-162-178-91-59-30-60-92-178)100-188(124-216)140-224(15,16)148-196-115-211(239-163-179-93-61-31-62-94-179)132-212(116-196)240-164-180-95-63-32-64-96-180/h17-132H,133-164H2,1-16H3/q+8.
What are the key properties of [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium?
[3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium has a molecular weight of 3220.33 g/mol, XLogP of 42.54, 84 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(phenylmethoxy)phenyl]methyl-[[3-[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]-5-tris[3,5-bis[[[3,5-bis(phenylmethoxy)phenyl]methyl-dimethylazaniumyl]methyl]phenyl]silylphenyl]methyl]-dimethylazanium is sourced from PubChem (CID 101089892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).