3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride

C114H219ClN24O2 — CID 45265783

IUPAC3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride
SMILESCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCN(CC)C(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)N(CC)CCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC)=C5C)c(CC)c4C)c(CC)c3C.Cl
InChIInChI=1S/C114H218N24O2.ClH/c1-11-101-97(7)105-93-106-99(9)103(53-55-113(139)137(15-5)91-51-49-89-131-87-47-45-85-129-83-43-41-81-127-79-39-37-77-125-75-35-33-73-123-71-31-29-69-121-67-27-25-65-119-63-23-21-61-117-59-19-17-57-115-13-3)111(135-106)96-112-104(100(10)108(136-112)95-110-102(12-2)98(8)107(134-110)94-109(101)133-105)54-56-114(140)138(16-6)92-52-50-90-132-88-48-46-86-130-84-44-42-82-128-80-40-38-78-126-76-36-34-74-124-72-32-30-70-122-68-28-26-66-120-64-24-22-62-118-60-20-18-58-116-14-4;/h93-96,115-134H,11-92H2,1-10H3;1H/b105-93-,106-93-,107-94-,108-95-,109-94-,110-95-,111-96-,112-96-;
InChIKeyUWMMGNVKUPWZBP-LFEJJHNTSA-N
MW1993.63 g/mol
LogP16.29
Rot. Bonds102

About 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride

3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride (PubChem CID 45265783) has the molecular formula C114H219ClN24O2 and a molecular weight of 1993.63 g/mol. Its IUPAC name is 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride
PubChem CID45265783
Molecular FormulaC114H219ClN24O2
Molecular Weight1993.63 g/mol
Exact Mass1991.75
IUPAC Name3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride
SMILESCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCN(CC)C(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)N(CC)CCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC)=C5C)c(CC)c4C)c(CC)c3C.Cl
InChIInChI=1S/C114H218N24O2.ClH/c1-11-101-97(7)105-93-106-99(9)103(53-55-113(139)137(15-5)91-51-49-89-131-87-47-45-85-129-83-43-41-81-127-79-39-37-77-125-75-35-33-73-123-71-31-29-69-121-67-27-25-65-119-63-23-21-61-117-59-19-17-57-115-13-3)111(135-106)96-112-104(100(10)108(136-112)95-110-102(12-2)98(8)107(134-110)94-109(101)133-105)54-56-114(140)138(16-6)92-52-50-90-132-88-48-46-86-130-84-44-42-82-128-80-40-38-78-126-76-36-34-74-124-72-32-30-70-122-68-28-26-66-120-64-24-22-62-118-60-20-18-58-116-14-4;/h93-96,115-134H,11-92H2,1-10H3;1H/b105-93-,106-93-,107-94-,108-95-,109-94-,110-95-,111-96-,112-96-;
InChIKeyUWMMGNVKUPWZBP-LFEJJHNTSA-N
XLogP16.29
TPSA314.52 Ų
H-Bond Donors20
H-Bond Acceptors22
Rotatable Bonds102
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.63
LogP ≤ 516.29
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride?
The IUPAC name of 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride (CID 45265783) is 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride?
The canonical SMILES for 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride is CCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCN(CC)C(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)N(CC)CCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC)=C5C)c(CC)c4C)c(CC)c3C.Cl.
What is the InChIKey of 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride?
The InChIKey is UWMMGNVKUPWZBP-LFEJJHNTSA-N. The full InChI is InChI=1S/C114H218N24O2.ClH/c1-11-101-97(7)105-93-106-99(9)103(53-55-113(139)137(15-5)91-51-49-89-131-87-47-45-85-129-83-43-41-81-127-79-39-37-77-125-75-35-33-73-123-71-31-29-69-121-67-27-25-65-119-63-23-21-61-117-59-19-17-57-115-13-3)111(135-106)96-112-104(100(10)108(136-112)95-110-102(12-2)98(8)107(134-110)94-109(101)133-105)54-56-114(140)138(16-6)92-52-50-90-132-88-48-46-86-130-84-44-42-82-128-80-40-38-78-126-76-36-34-74-124-72-32-30-70-122-68-28-26-66-120-64-24-22-62-118-60-20-18-58-116-14-4;/h93-96,115-134H,11-92H2,1-10H3;1H/b105-93-,106-93-,107-94-,108-95-,109-94-,110-95-,111-96-,112-96-;.
What are the key properties of 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride?
3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride has a molecular weight of 1993.63 g/mol, XLogP of 16.29, 102 rotatable bonds, 20 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8,13-diethyl-18-[3-[ethyl-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]amino]-3-oxopropyl]-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N-ethyl-N-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butyl]propanamide;hydrochloride is sourced from PubChem (CID 45265783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).