[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane

C200H226N12O14Si2 — CID 177453455

IUPAC[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane
SMILESCC(C)CCOc1cc(OCCC(C)C)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCC(C)C)cc(OCCC(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(OCCC(C)C)cc(OCCC(C)C)c8)c8ccc([nH]8)c(-c8ccc(O[Si](c9ccccc9)(c9ccccc9)C(C)(C)C)cc8)c8nc(c(-c9cc(OCCC(C)C)cc(OCCC(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(OCCC(C)C)cc(OCCC(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(OCCC(C)C)cc(OCCC(C)C)c4)c4nc(c(-c5ccc(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C200H226N12O14Si2/c1-125(2)83-95-213-147-107-139(108-148(119-147)214-96-84-126(3)4)189-167-63-59-163(201-167)187(137-51-55-145(56-52-137)225-227(199(25,26)27,159-43-35-31-36-44-159)160-45-37-32-38-46-160)164-60-64-168(202-164)190(140-109-149(215-97-85-127(5)6)120-150(110-140)216-98-86-128(7)8)172-68-76-180(206-172)195(179-75-67-171(189)205-179)197-183-79-71-175(209-183)193(143-115-155(221-103-91-133(17)18)123-156(116-143)222-104-92-134(19)20)177-73-81-185(211-177)198(186-82-74-178(212-186)194(176-72-80-184(197)210-176)144-117-157(223-105-93-135(21)22)124-158(118-144)224-106-94-136(23)24)196-181-77-69-173(207-181)191(141-111-151(217-99-87-129(9)10)121-152(112-141)218-100-88-130(11)12)169-65-61-165(203-169)188(138-53-57-146(58-54-138)226-228(200(28,29)30,161-47-39-33-40-48-161)162-49-41-34-42-50-162)166-62-66-170(204-166)192(174-70-78-182(196)208-174)142-113-153(219-101-89-131(13)14)122-154(114-142)220-102-90-132(15)16/h31-82,107-136,201,203,206,208-209,212H,83-106H2,1-30H3/b187-163-,187-164-,188-165-,188-166-,189-167-,189-171-,190-168-,190-172-,191-169-,191-173-,192-170-,192-174-,193-175-,193-177-,194-176-,194-178-,195-179+,195-180+,196-181+,196-182+,197-183+,197-184+,198-185+,198-186+
InChIKeyQFVDIKDKQLPFCJ-JDLOTRQLSA-N
MW3078.25 g/mol
LogP50.24
Rot. Bonds66

About [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane

[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane (PubChem CID 177453455) has the molecular formula C200H226N12O14Si2 and a molecular weight of 3078.25 g/mol. Its IUPAC name is [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane
PubChem CID177453455
Molecular FormulaC200H226N12O14Si2
Molecular Weight3078.25 g/mol
Exact Mass3075.69
IUPAC Name[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane
SMILESCC(C)CCOc1cc(OCCC(C)C)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCC(C)C)cc(OCCC(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(OCCC(C)C)cc(OCCC(C)C)c8)c8ccc([nH]8)c(-c8ccc(O[Si](c9ccccc9)(c9ccccc9)C(C)(C)C)cc8)c8nc(c(-c9cc(OCCC(C)C)cc(OCCC(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(OCCC(C)C)cc(OCCC(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(OCCC(C)C)cc(OCCC(C)C)c4)c4nc(c(-c5ccc(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C200H226N12O14Si2/c1-125(2)83-95-213-147-107-139(108-148(119-147)214-96-84-126(3)4)189-167-63-59-163(201-167)187(137-51-55-145(56-52-137)225-227(199(25,26)27,159-43-35-31-36-44-159)160-45-37-32-38-46-160)164-60-64-168(202-164)190(140-109-149(215-97-85-127(5)6)120-150(110-140)216-98-86-128(7)8)172-68-76-180(206-172)195(179-75-67-171(189)205-179)197-183-79-71-175(209-183)193(143-115-155(221-103-91-133(17)18)123-156(116-143)222-104-92-134(19)20)177-73-81-185(211-177)198(186-82-74-178(212-186)194(176-72-80-184(197)210-176)144-117-157(223-105-93-135(21)22)124-158(118-144)224-106-94-136(23)24)196-181-77-69-173(207-181)191(141-111-151(217-99-87-129(9)10)121-152(112-141)218-100-88-130(11)12)169-65-61-165(203-169)188(138-53-57-146(58-54-138)226-228(200(28,29)30,161-47-39-33-40-48-161)162-49-41-34-42-50-162)166-62-66-170(204-166)192(174-70-78-182(196)208-174)142-113-153(219-101-89-131(13)14)122-154(114-142)220-102-90-132(15)16/h31-82,107-136,201,203,206,208-209,212H,83-106H2,1-30H3/b187-163-,187-164-,188-165-,188-166-,189-167-,189-171-,190-168-,190-172-,191-169-,191-173-,192-170-,192-174-,193-175-,193-177-,194-176-,194-178-,195-179+,195-180+,196-181+,196-182+,197-183+,197-184+,198-185+,198-186+
InChIKeyQFVDIKDKQLPFCJ-JDLOTRQLSA-N
XLogP50.24
TPSA301.30 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds66
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003078.25
LogP ≤ 550.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane with MolForge

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Related Compounds

10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5,15-diamine
CID 137274156
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
CID 100914019
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
5,15-bis[10,20-bis(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10,20-bis(3,5-ditert-butylphenyl)-21,23-dihydroporphyrin
CID 101057335
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
2-[4-[tert-butyl(diphenyl)silyl]oxyphenoxy]ethanol
CID 10916195
5-(3,5-ditert-butylphenyl)-15-[3-[2-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
CID 101228762
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
5-(3,5-ditert-butylphenyl)-15-[3-[5-[3-[15-(3,5-ditert-butylphenyl)-10-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-20-phenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentoxy]phenyl]-20-[20-(3,5-ditert-butylphenyl)-15-phenyl-21,23-dihydroporphyrin-5-yl]-10-phenyl-21,23-dihydroporphyrin
CID 101228765

Frequently Asked Questions

What is the IUPAC name of [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane (CID 177453455) is [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane is CC(C)CCOc1cc(OCCC(C)C)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCC(C)C)cc(OCCC(C)C)c6)c6ccc([nH]6)c(-c6c7nc(c(-c8cc(OCCC(C)C)cc(OCCC(C)C)c8)c8ccc([nH]8)c(-c8ccc(O[Si](c9ccccc9)(c9ccccc9)C(C)(C)C)cc8)c8nc(c(-c9cc(OCCC(C)C)cc(OCCC(C)C)c9)c9ccc6[nH]9)C=C8)C=C7)c6nc(c(-c7cc(OCCC(C)C)cc(OCCC(C)C)c7)c7ccc4[nH]7)C=C6)C=C5)c4ccc([nH]4)c(-c4cc(OCCC(C)C)cc(OCCC(C)C)c4)c4nc(c(-c5ccc(O[Si](c6ccccc6)(c6ccccc6)C(C)(C)C)cc5)c5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane?
The InChIKey is QFVDIKDKQLPFCJ-JDLOTRQLSA-N. The full InChI is InChI=1S/C200H226N12O14Si2/c1-125(2)83-95-213-147-107-139(108-148(119-147)214-96-84-126(3)4)189-167-63-59-163(201-167)187(137-51-55-145(56-52-137)225-227(199(25,26)27,159-43-35-31-36-44-159)160-45-37-32-38-46-160)164-60-64-168(202-164)190(140-109-149(215-97-85-127(5)6)120-150(110-140)216-98-86-128(7)8)172-68-76-180(206-172)195(179-75-67-171(189)205-179)197-183-79-71-175(209-183)193(143-115-155(221-103-91-133(17)18)123-156(116-143)222-104-92-134(19)20)177-73-81-185(211-177)198(186-82-74-178(212-186)194(176-72-80-184(197)210-176)144-117-157(223-105-93-135(21)22)124-158(118-144)224-106-94-136(23)24)196-181-77-69-173(207-181)191(141-111-151(217-99-87-129(9)10)121-152(112-141)218-100-88-130(11)12)169-65-61-165(203-169)188(138-53-57-146(58-54-138)226-228(200(28,29)30,161-47-39-33-40-48-161)162-49-41-34-42-50-162)166-62-66-170(204-166)192(174-70-78-182(196)208-174)142-113-153(219-101-89-131(13)14)122-154(114-142)220-102-90-132(15)16/h31-82,107-136,201,203,206,208-209,212H,83-106H2,1-30H3/b187-163-,187-164-,188-165-,188-166-,189-167-,189-171-,190-168-,190-172-,191-169-,191-173-,192-170-,192-174-,193-175-,193-177-,194-176-,194-178-,195-179+,195-180+,196-181+,196-182+,197-183+,197-184+,198-185+,198-186+.
What are the key properties of [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane?
[4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane has a molecular weight of 3078.25 g/mol, XLogP of 50.24, 66 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[15-[15-[10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-15-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-10,20-bis[3,5-bis(3-methylbutoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 177453455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).