6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium

C190H282N14O6+6 — CID 102531072

IUPAC6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c4)c4ccc([nH]4)c(-c4cccc(-c5c6nc(c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7ccc([nH]7)c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7nc(c(-c8cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c8)c8ccc5[nH]8)C=C7)C=C6)c4)c4nc(c(-c5cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C190H282N14O6/c1-19-37-116-199(117-38-20-2,118-39-21-3)134-67-55-61-73-140-205-161-94-80-88-155(147-161)185-171-104-100-167(191-171)183(168-101-105-172(192-168)186(156-89-81-95-162(148-156)206-141-74-62-56-68-135-200(119-40-22-4,120-41-23-5)121-42-24-6)176-109-113-180(196-176)189(179-112-108-175(185)195-179)159-92-84-98-165(151-159)209-144-77-65-59-71-138-203(128-49-31-13,129-50-32-14)130-51-33-15)153-86-79-87-154(146-153)184-169-102-106-173(193-169)187(157-90-82-96-163(149-157)207-142-75-63-57-69-136-201(122-43-25-7,123-44-26-8)124-45-27-9)177-110-114-181(197-177)190(160-93-85-99-166(152-160)210-145-78-66-60-72-139-204(131-52-34-16,132-53-35-17)133-54-36-18)182-115-111-178(198-182)188(174-107-103-170(184)194-174)158-91-83-97-164(150-158)208-143-76-64-58-70-137-202(125-46-28-10,126-47-29-11)127-48-30-12/h79-115,146-152,191,193,196,198H,19-78,116-145H2,1-18H3/q+6/b183-167-,183-168-,184-169-,184-170-,185-171-,185-175-,186-172-,186-176-,187-173-,187-177-,188-174-,188-178-,189-179-,189-180-,190-181-,190-182-
InChIKeyDJZFJUXDSLZETG-ONFQEOJOSA-N
MW2858.44 g/mol
LogP51.90
Rot. Bonds110

About 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium

6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium (PubChem CID 102531072) has the molecular formula C190H282N14O6+6 and a molecular weight of 2858.44 g/mol. Its IUPAC name is 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium.

Molecular Properties

Compound Name6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium
PubChem CID102531072
Molecular FormulaC190H282N14O6+6
Molecular Weight2858.44 g/mol
Exact Mass2856.22
IUPAC Name6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c4)c4ccc([nH]4)c(-c4cccc(-c5c6nc(c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7ccc([nH]7)c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7nc(c(-c8cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c8)c8ccc5[nH]8)C=C7)C=C6)c4)c4nc(c(-c5cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C190H282N14O6/c1-19-37-116-199(117-38-20-2,118-39-21-3)134-67-55-61-73-140-205-161-94-80-88-155(147-161)185-171-104-100-167(191-171)183(168-101-105-172(192-168)186(156-89-81-95-162(148-156)206-141-74-62-56-68-135-200(119-40-22-4,120-41-23-5)121-42-24-6)176-109-113-180(196-176)189(179-112-108-175(185)195-179)159-92-84-98-165(151-159)209-144-77-65-59-71-138-203(128-49-31-13,129-50-32-14)130-51-33-15)153-86-79-87-154(146-153)184-169-102-106-173(193-169)187(157-90-82-96-163(149-157)207-142-75-63-57-69-136-201(122-43-25-7,123-44-26-8)124-45-27-9)177-110-114-181(197-177)190(160-93-85-99-166(152-160)210-145-78-66-60-72-139-204(131-52-34-16,132-53-35-17)133-54-36-18)182-115-111-178(198-182)188(174-107-103-170(184)194-174)158-91-83-97-164(150-158)208-143-76-64-58-70-137-202(125-46-28-10,126-47-29-11)127-48-30-12/h79-115,146-152,191,193,196,198H,19-78,116-145H2,1-18H3/q+6/b183-167-,183-168-,184-169-,184-170-,185-171-,185-175-,186-172-,186-176-,187-173-,187-177-,188-174-,188-178-,189-179-,189-180-,190-181-,190-182-
InChIKeyDJZFJUXDSLZETG-ONFQEOJOSA-N
XLogP51.90
TPSA170.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds110
Heavy Atoms210
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002858.44
LogP ≤ 551.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium with MolForge

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Related Compounds

triethyl-[6-[3-[10,15,20-tris[3-[6-(triethylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl]azanium
CID 137252824
5,10,15-tris(3,5-dioctoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136690948
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
tributyl-[6-[2-tert-butyl-5-[10,15,20-tris[4-tert-butyl-3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl]azanium
CID 136677878
5-heptyl-10,15,20-tris(3-methoxyphenyl)-21,23-dihydroporphyrin
CID 136798653
trimethyl-[3-[3-[15-[3-[3-(trimethylazaniumyl)propoxy]phenyl]-10-undecyl-21,24-dihydroporphyrin-5-yl]phenoxy]propyl]azanium dichloride
CID 10328444
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
5,10-bis(4-dodecoxyphenyl)-15,20-dipyridin-3-yl-21,23-dihydroporphyrin
CID 137187412
3-[4-[10,15-bis[4-[3-(trimethylazaniumyl)propoxy]phenyl]-20-(4-undecoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylazanium triiodide
CID 135469270
5,15-bis(3,5-dioctoxyphenyl)-10,20-diiodo-21,22-dihydroporphyrin
CID 11083733
5,10,15,20-tetrakis(3,4,5-trioctadecoxyphenyl)-21,23-dihydroporphyrin
CID 139249949
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426

Frequently Asked Questions

What is the IUPAC name of 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium?
The IUPAC name of 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium (CID 102531072) is 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium.
What is the SMILES notation for 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium?
The canonical SMILES for 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium is CCCC[N+](CCCC)(CCCC)CCCCCCOc1cccc(-c2c3nc(c(-c4cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c4)c4ccc([nH]4)c(-c4cccc(-c5c6nc(c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7ccc([nH]7)c(-c7cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c7)c7nc(c(-c8cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c8)c8ccc5[nH]8)C=C7)C=C6)c4)c4nc(c(-c5cccc(OCCCCCC[N+](CCCC)(CCCC)CCCC)c5)c5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium?
The InChIKey is DJZFJUXDSLZETG-ONFQEOJOSA-N. The full InChI is InChI=1S/C190H282N14O6/c1-19-37-116-199(117-38-20-2,118-39-21-3)134-67-55-61-73-140-205-161-94-80-88-155(147-161)185-171-104-100-167(191-171)183(168-101-105-172(192-168)186(156-89-81-95-162(148-156)206-141-74-62-56-68-135-200(119-40-22-4,120-41-23-5)121-42-24-6)176-109-113-180(196-176)189(179-112-108-175(185)195-179)159-92-84-98-165(151-159)209-144-77-65-59-71-138-203(128-49-31-13,129-50-32-14)130-51-33-15)153-86-79-87-154(146-153)184-169-102-106-173(193-169)187(157-90-82-96-163(149-157)207-142-75-63-57-69-136-201(122-43-25-7,123-44-26-8)124-45-27-9)177-110-114-181(197-177)190(160-93-85-99-166(152-160)210-145-78-66-60-72-139-204(131-52-34-16,132-53-35-17)133-54-36-18)182-115-111-178(198-182)188(174-107-103-170(184)194-174)158-91-83-97-164(150-158)208-143-76-64-58-70-137-202(125-46-28-10,126-47-29-11)127-48-30-12/h79-115,146-152,191,193,196,198H,19-78,116-145H2,1-18H3/q+6/b183-167-,183-168-,184-169-,184-170-,185-171-,185-175-,186-172-,186-176-,187-173-,187-177-,188-174-,188-178-,189-179-,189-180-,190-181-,190-182-.
What are the key properties of 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium?
6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium has a molecular weight of 2858.44 g/mol, XLogP of 51.90, 110 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[10,15-bis[3-[6-(tributylazaniumyl)hexoxy]phenyl]-20-[3-[10,15,20-tris[3-[6-(tributylazaniumyl)hexoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]hexyl-tributylazanium is sourced from PubChem (CID 102531072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).