4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde

C152H210N8O12 — CID 102143906

IUPAC4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCNCCCCCCCCCCOc2ccc(-c3c4nc(c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5ccc([nH]5)c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5nc(c(-c6ccc(OCCCCCCCCCCNCCCCCCCCCCOc7ccc(C=O)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C152H210N8O12/c161-121-125-65-81-133(82-66-125)165-113-57-41-25-9-1-17-33-49-105-153-109-53-37-21-5-13-29-45-61-117-169-137-89-73-129(74-90-137)149-141-97-99-143(157-141)150(130-75-91-138(92-76-130)170-118-62-46-30-14-6-22-38-54-110-154-106-50-34-18-2-10-26-42-58-114-166-134-83-67-126(122-162)68-84-134)145-101-103-147(159-145)152(132-79-95-140(96-80-132)172-120-64-48-32-16-8-24-40-56-112-156-108-52-36-20-4-12-28-44-60-116-168-136-87-71-128(124-164)72-88-136)148-104-102-146(160-148)151(144-100-98-142(149)158-144)131-77-93-139(94-78-131)171-119-63-47-31-15-7-23-39-55-111-155-107-51-35-19-3-11-27-43-59-115-167-135-85-69-127(123-163)70-86-135/h65-104,121-124,153-157,160H,1-64,105-120H2/b149-141-,149-142-,150-143-,150-145-,151-144-,151-146-,152-147-,152-148-
InChIKeyJCFQCVJRYOLIQC-HAQRRMTPSA-N
MW2341.40 g/mol
LogP39.73
Rot. Bonds104

About 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde

4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde (PubChem CID 102143906) has the molecular formula C152H210N8O12 and a molecular weight of 2341.40 g/mol. Its IUPAC name is 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde.

Molecular Properties

Compound Name4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde
PubChem CID102143906
Molecular FormulaC152H210N8O12
Molecular Weight2341.40 g/mol
Exact Mass2339.61
IUPAC Name4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde
SMILESO=Cc1ccc(OCCCCCCCCCCNCCCCCCCCCCOc2ccc(-c3c4nc(c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5ccc([nH]5)c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5nc(c(-c6ccc(OCCCCCCCCCCNCCCCCCCCCCOc7ccc(C=O)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1
InChIInChI=1S/C152H210N8O12/c161-121-125-65-81-133(82-66-125)165-113-57-41-25-9-1-17-33-49-105-153-109-53-37-21-5-13-29-45-61-117-169-137-89-73-129(74-90-137)149-141-97-99-143(157-141)150(130-75-91-138(92-76-130)170-118-62-46-30-14-6-22-38-54-110-154-106-50-34-18-2-10-26-42-58-114-166-134-83-67-126(122-162)68-84-134)145-101-103-147(159-145)152(132-79-95-140(96-80-132)172-120-64-48-32-16-8-24-40-56-112-156-108-52-36-20-4-12-28-44-60-116-168-136-87-71-128(124-164)72-88-136)148-104-102-146(160-148)151(144-100-98-142(149)158-144)131-77-93-139(94-78-131)171-119-63-47-31-15-7-23-39-55-111-155-107-51-35-19-3-11-27-43-59-115-167-135-85-69-127(123-163)70-86-135/h65-104,121-124,153-157,160H,1-64,105-120H2/b149-141-,149-142-,150-143-,150-145-,151-144-,151-146-,152-147-,152-148-
InChIKeyJCFQCVJRYOLIQC-HAQRRMTPSA-N
XLogP39.73
TPSA247.60 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds104
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.40
LogP ≤ 539.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde with MolForge

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Related Compounds

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
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
trimethyl-[4-[4-[10,15,20-tris[4-[4-(trimethylazaniumyl)butoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butyl]azanium
CID 136707614
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5,10,15-triphenyl-20-(4-undec-10-enoxyphenyl)-21,23-dihydroporphyrin
CID 136883755
4-[4-[10,15,20-tris(4-tert-butylphenyl)-21,22-dihydroporphyrin-5-yl]phenoxy]benzaldehyde
CID 102339268
4-[20-(4-formylphenyl)-10,15-bis(4-sulfophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonic acid
CID 162349982
5,15-bis(4-octadecoxyphenyl)-10,20-dipyridin-4-yl-21,23-dihydroporphyrin
CID 136754426
tetrapotassium;4-[4-[10,15,20-tris[4-(3-carboxylatopropoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]butanoate
CID 136832974
4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 136915978
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994

Frequently Asked Questions

What is the IUPAC name of 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde?
The IUPAC name of 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde (CID 102143906) is 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde.
What is the SMILES notation for 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde?
The canonical SMILES for 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde is O=Cc1ccc(OCCCCCCCCCCNCCCCCCCCCCOc2ccc(-c3c4nc(c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5ccc([nH]5)c(-c5ccc(OCCCCCCCCCCNCCCCCCCCCCOc6ccc(C=O)cc6)cc5)c5nc(c(-c6ccc(OCCCCCCCCCCNCCCCCCCCCCOc7ccc(C=O)cc7)cc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc1.
What is the InChIKey of 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde?
The InChIKey is JCFQCVJRYOLIQC-HAQRRMTPSA-N. The full InChI is InChI=1S/C152H210N8O12/c161-121-125-65-81-133(82-66-125)165-113-57-41-25-9-1-17-33-49-105-153-109-53-37-21-5-13-29-45-61-117-169-137-89-73-129(74-90-137)149-141-97-99-143(157-141)150(130-75-91-138(92-76-130)170-118-62-46-30-14-6-22-38-54-110-154-106-50-34-18-2-10-26-42-58-114-166-134-83-67-126(122-162)68-84-134)145-101-103-147(159-145)152(132-79-95-140(96-80-132)172-120-64-48-32-16-8-24-40-56-112-156-108-52-36-20-4-12-28-44-60-116-168-136-87-71-128(124-164)72-88-136)148-104-102-146(160-148)151(144-100-98-142(149)158-144)131-77-93-139(94-78-131)171-119-63-47-31-15-7-23-39-55-111-155-107-51-35-19-3-11-27-43-59-115-167-135-85-69-127(123-163)70-86-135/h65-104,121-124,153-157,160H,1-64,105-120H2/b149-141-,149-142-,150-143-,150-145-,151-144-,151-146-,152-147-,152-148-.
What are the key properties of 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde?
4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde has a molecular weight of 2341.40 g/mol, XLogP of 39.73, 104 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[10-[4-[10,15,20-tris[4-[10-[10-(4-formylphenoxy)decylamino]decoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]decylamino]decoxy]benzaldehyde is sourced from PubChem (CID 102143906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).