[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate

C122H92N10O8 — CID 102385273

IUPAC[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate
SMILESCCN(CC)C(=O)COc1c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc2c1-c1c(OCC(=O)N(CC)CC)c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc12
InChIInChI=1S/C122H92N10O8/c1-5-131(6-2)107(133)73-137-119-105(139-121(135)83-51-47-81(48-52-83)115-101-67-63-97(127-101)111(77-35-19-11-20-36-77)93-59-55-89(123-93)109(75-31-15-9-16-32-75)90-56-60-94(124-90)112(78-37-21-12-22-38-78)98-64-68-102(115)128-98)71-85-43-27-29-45-87(85)117(119)118-88-46-30-28-44-86(88)72-106(120(118)138-74-108(134)132(7-3)8-4)140-122(136)84-53-49-82(50-54-84)116-103-69-65-99(129-103)113(79-39-23-13-24-40-79)95-61-57-91(125-95)110(76-33-17-10-18-34-76)92-58-62-96(126-92)114(80-41-25-14-26-42-80)100-66-70-104(116)130-100/h9-72,123,125,128,130H,5-8,73-74H2,1-4H3/b109-89-,109-90-,110-91-,110-92-,111-93-,111-97-,112-94-,112-98-,113-95-,113-99-,114-96-,114-100-,115-101-,115-102-,116-103-,116-104-
InChIKeyHEVZAOQLQUKLCN-DBHFSHHASA-N
MW1826.14 g/mol
LogP27.87
Rot. Bonds23

About [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate

[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate (PubChem CID 102385273) has the molecular formula C122H92N10O8 and a molecular weight of 1826.14 g/mol. Its IUPAC name is [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate.

Molecular Properties

Compound Name[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate
PubChem CID102385273
Molecular FormulaC122H92N10O8
Molecular Weight1826.14 g/mol
Exact Mass1824.71
IUPAC Name[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate
SMILESCCN(CC)C(=O)COc1c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc2c1-c1c(OCC(=O)N(CC)CC)c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc12
InChIInChI=1S/C122H92N10O8/c1-5-131(6-2)107(133)73-137-119-105(139-121(135)83-51-47-81(48-52-83)115-101-67-63-97(127-101)111(77-35-19-11-20-36-77)93-59-55-89(123-93)109(75-31-15-9-16-32-75)90-56-60-94(124-90)112(78-37-21-12-22-38-78)98-64-68-102(115)128-98)71-85-43-27-29-45-87(85)117(119)118-88-46-30-28-44-86(88)72-106(120(118)138-74-108(134)132(7-3)8-4)140-122(136)84-53-49-82(50-54-84)116-103-69-65-99(129-103)113(79-39-23-13-24-40-79)95-61-57-91(125-95)110(76-33-17-10-18-34-76)92-58-62-96(126-92)114(80-41-25-14-26-42-80)100-66-70-104(116)130-100/h9-72,123,125,128,130H,5-8,73-74H2,1-4H3/b109-89-,109-90-,110-91-,110-92-,111-93-,111-97-,112-94-,112-98-,113-95-,113-99-,114-96-,114-100-,115-101-,115-102-,116-103-,116-104-
InChIKeyHEVZAOQLQUKLCN-DBHFSHHASA-N
XLogP27.87
TPSA226.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.14
LogP ≤ 527.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate with MolForge

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Related Compounds

methyl 4-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)benzoate
CID 171991341
[4-[10,15,20-tris[4-(N-phenylanilino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl] benzoate
CID 101439024
ethyl 4-[15-(4-ethoxycarbonylphenyl)-10,20-bis(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136859874
4-(5,15-diphenyl-22,23-dihydro-21H-corrin-10-yl)benzoic acid
CID 136902021
ethyl 4-[10,20-bis(4-ethoxycarbonylphenyl)-15-(2-pyridin-2-yl-4-pyridinyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136864019
ethyl 4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 136801785
N-methyl-4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzamide
CID 136642660
3-(dimethylamino)propyl 4-[10,15,20-tris[4-[3-(dimethylamino)propoxycarbonyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 135488197
zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135782729
2-methoxyethyl 4-[10,15,20-tris[4-(2-methoxyethoxycarbonyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzoate
CID 162769066
5,10,15-triphenyl-20-[6-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenanthren-3-yl]-21,23-dihydroporphyrin
CID 101030343
ethyl 4-[15-(4-ethoxycarbonylphenyl)-10,20-bis(1H-indol-6-yl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 154583991

Frequently Asked Questions

What is the IUPAC name of [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate?
The IUPAC name of [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate (CID 102385273) is [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate.
What is the SMILES notation for [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate?
The canonical SMILES for [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate is CCN(CC)C(=O)COc1c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc2c1-c1c(OCC(=O)N(CC)CC)c(OC(=O)c2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)cc2ccccc12.
What is the InChIKey of [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate?
The InChIKey is HEVZAOQLQUKLCN-DBHFSHHASA-N. The full InChI is InChI=1S/C122H92N10O8/c1-5-131(6-2)107(133)73-137-119-105(139-121(135)83-51-47-81(48-52-83)115-101-67-63-97(127-101)111(77-35-19-11-20-36-77)93-59-55-89(123-93)109(75-31-15-9-16-32-75)90-56-60-94(124-90)112(78-37-21-12-22-38-78)98-64-68-102(115)128-98)71-85-43-27-29-45-87(85)117(119)118-88-46-30-28-44-86(88)72-106(120(118)138-74-108(134)132(7-3)8-4)140-122(136)84-53-49-82(50-54-84)116-103-69-65-99(129-103)113(79-39-23-13-24-40-79)95-61-57-91(125-95)110(76-33-17-10-18-34-76)92-58-62-96(126-92)114(80-41-25-14-26-42-80)100-66-70-104(116)130-100/h9-72,123,125,128,130H,5-8,73-74H2,1-4H3/b109-89-,109-90-,110-91-,110-92-,111-93-,111-97-,112-94-,112-98-,113-95-,113-99-,114-96-,114-100-,115-101-,115-102-,116-103-,116-104-.
What are the key properties of [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate?
[3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate has a molecular weight of 1826.14 g/mol, XLogP of 27.87, 23 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(diethylamino)-2-oxoethoxy]-4-[2-[2-(diethylamino)-2-oxoethoxy]-3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzoate is sourced from PubChem (CID 102385273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).