tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide

C260H330N16O16Zn4 — CID 165368231

IUPACtetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide
SMILESCCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCCCCCCC)cc(OCCCCCCCC)c6)c6ccc([n-]6)c(C#CC#Cc6c7nc(c(-c8cc(OCCCCCCCC)cc(OCCCCCCCC)c8)c8ccc([n-]8)c(-c8c9nc(c(-c%10cc(OCCCCCCCC)cc(OCCCCCCCC)c%10)c%10ccc(cc%11nc(c(-c%12cc(OCCCCCCCC)cc(OCCCCCCCC)c%12)c%12ccc8[n-]%12)C=C%11)[n-]%10)C=C9)c8nc(c(-c9cc(OCCCCCCCC)cc(OCCCCCCCC)c9)c9ccc6[n-]9)C=C8)C=C7)c6nc(c(-c7cc(OCCCCCCCC)cc(OCCCCCCCC)c7)c7ccc4[n-]7)C=C6)C=C5)c4ccc([n-]4)c(-c4cc(OCCCCCCCC)cc(OCCCCCCCC)c4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)c1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C260H330N16O16.4Zn/c1-17-33-49-65-81-99-149-277-203-165-191(166-204(183-203)278-150-100-82-66-50-34-18-2)249-225-121-117-199(261-225)181-200-118-122-226(262-200)250(192-167-205(279-151-101-83-67-51-35-19-3)184-206(168-192)280-152-102-84-68-52-36-20-4)234-134-142-242(270-234)257(241-141-133-233(249)269-241)259-245-145-137-237(273-245)253(195-173-211(285-157-107-89-73-57-41-25-9)187-212(174-195)286-158-108-90-74-58-42-26-10)229-129-125-221(265-229)219(222-126-130-230(266-222)254(238-138-146-246(259)274-238)196-175-213(287-159-109-91-75-59-43-27-11)188-214(176-196)288-160-110-92-76-60-44-28-12)115-97-98-116-220-223-127-131-231(267-223)255(197-177-215(289-161-111-93-77-61-45-29-13)189-216(178-197)290-162-112-94-78-62-46-30-14)239-139-147-247(275-239)260(248-148-140-240(276-248)256(232-132-128-224(220)268-232)198-179-217(291-163-113-95-79-63-47-31-15)190-218(180-198)292-164-114-96-80-64-48-32-16)258-243-143-135-235(271-243)251(193-169-207(281-153-103-85-69-53-37-21-5)185-208(170-193)282-154-104-86-70-54-38-22-6)227-123-119-201(263-227)182-202-120-124-228(264-202)252(236-136-144-244(258)272-236)194-171-209(283-155-105-87-71-55-39-23-7)186-210(172-194)284-156-106-88-72-56-40-24-8;;;;/h117-148,165-190H,17-96,99-114,149-164H2,1-16H3;;;;/q-8;4*+2/b199-181-,200-181-,201-182-,202-182-,221-219-,222-219-,223-220-,224-220-,249-225-,249-233-,250-226-,250-234-,251-227-,251-235-,252-228-,252-236-,253-229-,253-237-,254-230-,254-238-,255-231-,255-239-,256-232-,256-240-,257-241+,257-242+,258-243+,258-244+,259-245+,259-246+,260-247+,260-248+;;;;
InChIKeyJPALTPXYIQLYAQ-VSQAQQOTSA-N
MW4197.16 g/mol
LogP72.49
Rot. Bonds138

About tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide

tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide (PubChem CID 165368231) has the molecular formula C260H330N16O16Zn4 and a molecular weight of 4197.16 g/mol. Its IUPAC name is tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Nametetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide
PubChem CID165368231
Molecular FormulaC260H330N16O16Zn4
Molecular Weight4197.16 g/mol
Exact Mass4188.27
IUPAC Nametetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide
SMILESCCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCCCCCCC)cc(OCCCCCCCC)c6)c6ccc([n-]6)c(C#CC#Cc6c7nc(c(-c8cc(OCCCCCCCC)cc(OCCCCCCCC)c8)c8ccc([n-]8)c(-c8c9nc(c(-c%10cc(OCCCCCCCC)cc(OCCCCCCCC)c%10)c%10ccc(cc%11nc(c(-c%12cc(OCCCCCCCC)cc(OCCCCCCCC)c%12)c%12ccc8[n-]%12)C=C%11)[n-]%10)C=C9)c8nc(c(-c9cc(OCCCCCCCC)cc(OCCCCCCCC)c9)c9ccc6[n-]9)C=C8)C=C7)c6nc(c(-c7cc(OCCCCCCCC)cc(OCCCCCCCC)c7)c7ccc4[n-]7)C=C6)C=C5)c4ccc([n-]4)c(-c4cc(OCCCCCCCC)cc(OCCCCCCCC)c4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)c1.[Zn+2].[Zn+2].[Zn+2].[Zn+2]
InChIInChI=1S/C260H330N16O16.4Zn/c1-17-33-49-65-81-99-149-277-203-165-191(166-204(183-203)278-150-100-82-66-50-34-18-2)249-225-121-117-199(261-225)181-200-118-122-226(262-200)250(192-167-205(279-151-101-83-67-51-35-19-3)184-206(168-192)280-152-102-84-68-52-36-20-4)234-134-142-242(270-234)257(241-141-133-233(249)269-241)259-245-145-137-237(273-245)253(195-173-211(285-157-107-89-73-57-41-25-9)187-212(174-195)286-158-108-90-74-58-42-26-10)229-129-125-221(265-229)219(222-126-130-230(266-222)254(238-138-146-246(259)274-238)196-175-213(287-159-109-91-75-59-43-27-11)188-214(176-196)288-160-110-92-76-60-44-28-12)115-97-98-116-220-223-127-131-231(267-223)255(197-177-215(289-161-111-93-77-61-45-29-13)189-216(178-197)290-162-112-94-78-62-46-30-14)239-139-147-247(275-239)260(248-148-140-240(276-248)256(232-132-128-224(220)268-232)198-179-217(291-163-113-95-79-63-47-31-15)190-218(180-198)292-164-114-96-80-64-48-32-16)258-243-143-135-235(271-243)251(193-169-207(281-153-103-85-69-53-37-21-5)185-208(170-193)282-154-104-86-70-54-38-22-6)227-123-119-201(263-227)182-202-120-124-228(264-202)252(236-136-144-244(258)272-236)194-171-209(283-155-105-87-71-55-39-23-7)186-210(172-194)284-156-106-88-72-56-40-24-8;;;;/h117-148,165-190H,17-96,99-114,149-164H2,1-16H3;;;;/q-8;4*+2/b199-181-,200-181-,201-182-,202-182-,221-219-,222-219-,223-220-,224-220-,249-225-,249-233-,250-226-,250-234-,251-227-,251-235-,252-228-,252-236-,253-229-,253-237-,254-230-,254-238-,255-231-,255-239-,256-232-,256-240-,257-241+,257-242+,258-243+,258-244+,259-245+,259-246+,260-247+,260-248+;;;;
InChIKeyJPALTPXYIQLYAQ-VSQAQQOTSA-N
XLogP72.49
TPSA363.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds138
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004197.16
LogP ≤ 572.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide with MolForge

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Launch Full Analysis

Related Compounds

zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide
CID 146998924
zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine
CID 58261019
5,15-bis(3,5-dipentoxyphenyl)-21,23-dihydroporphyrin
CID 136760152
zinc 5,15-bis[4-(3-methylsulfonylpropoxy)phenyl]porphyrin-21,22-diide
CID 10327984
zinc 4-[2-[15-(4-hexyl-N-(4-hexylphenyl)anilino)-10,20-bis(3-methyl-5-pentoxyphenyl)porphyrin-22,24-diid-5-yl]ethynyl]benzoic acid
CID 147426114
dizinc;5-bromo-15-[2-[4-(10,20-diphenylporphyrin-22,24-diid-5-yl)phenyl]ethynyl]-10,20-di(pentan-3-yl)porphyrin-22,24-diide
CID 56653846
zinc 5-ethenyl-15-oct-1-ynyl-10,20-diphenylporphyrin-22,24-diide
CID 164677599
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,15-bis[2-(4-butylphenyl)ethynyl]-10,20-bis(3,5-dioctoxyphenyl)-21,23-dihydroporphyrin
CID 136746054
5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin
CID 11083733
dizinc;ethyl 4-[15-(4-ethoxycarbonylphenyl)-10-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diid-5-yl]benzoate
CID 146020191
zinc 5-butyl-10,20-bis(3-methoxyphenyl)-15-(2-phenylethynyl)porphyrin-22,24-diide
CID 56652116

Frequently Asked Questions

What is the IUPAC name of tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide?
The IUPAC name of tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide (CID 165368231) is tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide.
What is the SMILES notation for tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide?
The canonical SMILES for tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide is CCCCCCCCOc1cc(OCCCCCCCC)cc(-c2c3nc(c(-c4c5nc(c(-c6cc(OCCCCCCCC)cc(OCCCCCCCC)c6)c6ccc([n-]6)c(C#CC#Cc6c7nc(c(-c8cc(OCCCCCCCC)cc(OCCCCCCCC)c8)c8ccc([n-]8)c(-c8c9nc(c(-c%10cc(OCCCCCCCC)cc(OCCCCCCCC)c%10)c%10ccc(cc%11nc(c(-c%12cc(OCCCCCCCC)cc(OCCCCCCCC)c%12)c%12ccc8[n-]%12)C=C%11)[n-]%10)C=C9)c8nc(c(-c9cc(OCCCCCCCC)cc(OCCCCCCCC)c9)c9ccc6[n-]9)C=C8)C=C7)c6nc(c(-c7cc(OCCCCCCCC)cc(OCCCCCCCC)c7)c7ccc4[n-]7)C=C6)C=C5)c4ccc([n-]4)c(-c4cc(OCCCCCCCC)cc(OCCCCCCCC)c4)c4nc(cc5ccc2[n-]5)C=C4)C=C3)c1.[Zn+2].[Zn+2].[Zn+2].[Zn+2].
What is the InChIKey of tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide?
The InChIKey is JPALTPXYIQLYAQ-VSQAQQOTSA-N. The full InChI is InChI=1S/C260H330N16O16.4Zn/c1-17-33-49-65-81-99-149-277-203-165-191(166-204(183-203)278-150-100-82-66-50-34-18-2)249-225-121-117-199(261-225)181-200-118-122-226(262-200)250(192-167-205(279-151-101-83-67-51-35-19-3)184-206(168-192)280-152-102-84-68-52-36-20-4)234-134-142-242(270-234)257(241-141-133-233(249)269-241)259-245-145-137-237(273-245)253(195-173-211(285-157-107-89-73-57-41-25-9)187-212(174-195)286-158-108-90-74-58-42-26-10)229-129-125-221(265-229)219(222-126-130-230(266-222)254(238-138-146-246(259)274-238)196-175-213(287-159-109-91-75-59-43-27-11)188-214(176-196)288-160-110-92-76-60-44-28-12)115-97-98-116-220-223-127-131-231(267-223)255(197-177-215(289-161-111-93-77-61-45-29-13)189-216(178-197)290-162-112-94-78-62-46-30-14)239-139-147-247(275-239)260(248-148-140-240(276-248)256(232-132-128-224(220)268-232)198-179-217(291-163-113-95-79-63-47-31-15)190-218(180-198)292-164-114-96-80-64-48-32-16)258-243-143-135-235(271-243)251(193-169-207(281-153-103-85-69-53-37-21-5)185-208(170-193)282-154-104-86-70-54-38-22-6)227-123-119-201(263-227)182-202-120-124-228(264-202)252(236-136-144-244(258)272-236)194-171-209(283-155-105-87-71-55-39-23-7)186-210(172-194)284-156-106-88-72-56-40-24-8;;;;/h117-148,165-190H,17-96,99-114,149-164H2,1-16H3;;;;/q-8;4*+2/b199-181-,200-181-,201-182-,202-182-,221-219-,222-219-,223-220-,224-220-,249-225-,249-233-,250-226-,250-234-,251-227-,251-235-,252-228-,252-236-,253-229-,253-237-,254-230-,254-238-,255-231-,255-239-,256-232-,256-240-,257-241+,257-242+,258-243+,258-244+,259-245+,259-246+,260-247+,260-248+;;;;.
What are the key properties of tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide?
tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide has a molecular weight of 4197.16 g/mol, XLogP of 72.49, 138 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazinc;5-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-15-[4-[15-[10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diid-5-yl]buta-1,3-diynyl]-10,20-bis(3,5-dioctoxyphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 165368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).