4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid

C162H206N8O24 — CID 101163645

IUPAC4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid
SMILESO=C(O)CCCCCCCCCCc1cc(C(=O)O)cc(CCCCCCCCCCC(=O)O)c1-c1c2nc(c(-c3cccc(-c4c5nc(c(-c6c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc6CCCCCCCCCCC(=O)O)c6ccc(cc7nc(c(-c8c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc8CCCCCCCCCCC(=O)O)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c3)c3ccc([nH]3)c(-c3c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc3CCCCCCCCCCC(=O)O)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C162H206N8O24/c171-141(172)76-57-41-25-9-1-17-33-49-66-111-101-121(159(187)188)102-112(67-50-34-18-2-10-26-42-58-77-142(173)174)149(111)155-133-88-84-125(163-133)109-126-85-89-134(164-126)156(150-113(68-51-35-19-3-11-27-43-59-78-143(175)176)103-122(160(189)190)104-114(150)69-52-36-20-4-12-28-44-60-79-144(177)178)138-97-93-130(168-138)153(129-92-96-137(155)167-129)119-74-65-75-120(100-119)154-131-94-98-139(169-131)157(151-115(70-53-37-21-5-13-29-45-61-80-145(179)180)105-123(161(191)192)106-116(151)71-54-38-22-6-14-30-46-62-81-146(181)182)135-90-86-127(165-135)110-128-87-91-136(166-128)158(140-99-95-132(154)170-140)152-117(72-55-39-23-7-15-31-47-63-82-147(183)184)107-124(162(193)194)108-118(152)73-56-40-24-8-16-32-48-64-83-148(185)186/h65,74-75,84-110,163,165,168,170H,1-64,66-73,76-83H2,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/b125-109-,126-109-,127-110-,128-110-,153-129-,153-130-,154-131-,154-132-,155-133+,155-137+,156-134+,156-138+,157-135+,157-139+,158-136+,158-140+
InChIKeyMGUGAAUTXIJNBJ-SDSGZGQJSA-N
MW2649.46 g/mol
LogP41.52
Rot. Bonds98

About 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid

4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid (PubChem CID 101163645) has the molecular formula C162H206N8O24 and a molecular weight of 2649.46 g/mol. Its IUPAC name is 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid.

Molecular Properties

Compound Name4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid
PubChem CID101163645
Molecular FormulaC162H206N8O24
Molecular Weight2649.46 g/mol
Exact Mass2647.51
IUPAC Name4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid
SMILESO=C(O)CCCCCCCCCCc1cc(C(=O)O)cc(CCCCCCCCCCC(=O)O)c1-c1c2nc(c(-c3cccc(-c4c5nc(c(-c6c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc6CCCCCCCCCCC(=O)O)c6ccc(cc7nc(c(-c8c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc8CCCCCCCCCCC(=O)O)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c3)c3ccc([nH]3)c(-c3c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc3CCCCCCCCCCC(=O)O)c3nc(cc4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C162H206N8O24/c171-141(172)76-57-41-25-9-1-17-33-49-66-111-101-121(159(187)188)102-112(67-50-34-18-2-10-26-42-58-77-142(173)174)149(111)155-133-88-84-125(163-133)109-126-85-89-134(164-126)156(150-113(68-51-35-19-3-11-27-43-59-78-143(175)176)103-122(160(189)190)104-114(150)69-52-36-20-4-12-28-44-60-79-144(177)178)138-97-93-130(168-138)153(129-92-96-137(155)167-129)119-74-65-75-120(100-119)154-131-94-98-139(169-131)157(151-115(70-53-37-21-5-13-29-45-61-80-145(179)180)105-123(161(191)192)106-116(151)71-54-38-22-6-14-30-46-62-81-146(181)182)135-90-86-127(165-135)110-128-87-91-136(166-128)158(140-99-95-132(154)170-140)152-117(72-55-39-23-7-15-31-47-63-82-147(183)184)107-124(162(193)194)108-118(152)73-56-40-24-8-16-32-48-64-83-148(185)186/h65,74-75,84-110,163,165,168,170H,1-64,66-73,76-83H2,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/b125-109-,126-109-,127-110-,128-110-,153-129-,153-130-,154-131-,154-132-,155-133+,155-137+,156-134+,156-138+,157-135+,157-139+,158-136+,158-140+
InChIKeyMGUGAAUTXIJNBJ-SDSGZGQJSA-N
XLogP41.52
TPSA562.32 Ų
H-Bond Donors16
H-Bond Acceptors16
Rotatable Bonds98
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002649.46
LogP ≤ 541.52
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid with MolForge

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Related Compounds

4-[10,15-bis[4-carboxy-2,6-bis(10-carboxydecoxy)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecoxy)benzoic acid
CID 101141023
3-[10,15-bis(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 141240243
10-[4-(7,12-diphenyl-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(15),2,4,6,8(17),9,11,13-octaen-2-yl)phenyl]-5,15-diphenyl-21,23-dihydroporphyrin
CID 101442381
3-[15-[4-(N-phenylanilino)phenyl]-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136677887
10,20-diphenyl-21,23-dihydroporphyrin-5-carbaldehyde
CID 135415239
tributyl-[3-(10,20-diphenyl-21,23-dihydroporphyrin-5-yl)phenyl]stannane
CID 135873665
10,20-diphenyl-21,23-dihydroporphyrin-5-amine
CID 136859118
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
5,10,15-trinaphthalen-2-yl-21,23-dihydroporphyrin
CID 136749947
copper;10,20-diphenyl-21,22-dihydroporphyrin
CID 175704794
5-[10,15,20-tris(3,5-dicarboxyphenyl)-21,24-dihydroporphyrin-5-yl]benzene-1,3-dicarboxylic acid
CID 170920505
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

Frequently Asked Questions

What is the IUPAC name of 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid?
The IUPAC name of 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid (CID 101163645) is 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid.
What is the SMILES notation for 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid?
The canonical SMILES for 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid is O=C(O)CCCCCCCCCCc1cc(C(=O)O)cc(CCCCCCCCCCC(=O)O)c1-c1c2nc(c(-c3cccc(-c4c5nc(c(-c6c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc6CCCCCCCCCCC(=O)O)c6ccc(cc7nc(c(-c8c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc8CCCCCCCCCCC(=O)O)c8ccc4[nH]8)C=C7)[nH]6)C=C5)c3)c3ccc([nH]3)c(-c3c(CCCCCCCCCCC(=O)O)cc(C(=O)O)cc3CCCCCCCCCCC(=O)O)c3nc(cc4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid?
The InChIKey is MGUGAAUTXIJNBJ-SDSGZGQJSA-N. The full InChI is InChI=1S/C162H206N8O24/c171-141(172)76-57-41-25-9-1-17-33-49-66-111-101-121(159(187)188)102-112(67-50-34-18-2-10-26-42-58-77-142(173)174)149(111)155-133-88-84-125(163-133)109-126-85-89-134(164-126)156(150-113(68-51-35-19-3-11-27-43-59-78-143(175)176)103-122(160(189)190)104-114(150)69-52-36-20-4-12-28-44-60-79-144(177)178)138-97-93-130(168-138)153(129-92-96-137(155)167-129)119-74-65-75-120(100-119)154-131-94-98-139(169-131)157(151-115(70-53-37-21-5-13-29-45-61-80-145(179)180)105-123(161(191)192)106-116(151)71-54-38-22-6-14-30-46-62-81-146(181)182)135-90-86-127(165-135)110-128-87-91-136(166-128)158(140-99-95-132(154)170-140)152-117(72-55-39-23-7-15-31-47-63-82-147(183)184)107-124(162(193)194)108-118(152)73-56-40-24-8-16-32-48-64-83-148(185)186/h65,74-75,84-110,163,165,168,170H,1-64,66-73,76-83H2,(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)/b125-109-,126-109-,127-110-,128-110-,153-129-,153-130-,154-131-,154-132-,155-133+,155-137+,156-134+,156-138+,157-135+,157-139+,158-136+,158-140+.
What are the key properties of 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid?
4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid has a molecular weight of 2649.46 g/mol, XLogP of 41.52, 98 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[3-[10,20-bis[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]-15-[4-carboxy-2,6-bis(10-carboxydecyl)phenyl]-21,23-dihydroporphyrin-5-yl]-3,5-bis(10-carboxydecyl)benzoic acid is sourced from PubChem (CID 101163645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).