2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine

C65H86N6O9 — CID 16741516

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine
SMILESCOCCOCCOCCOCCNCc1cc(CNCCOCCOCCOCCOC)cc(-c2c3nc(cc4[nH]c(cc4-c4ccc(C)cc4)c(OC)c4nc(cc5[nH]c2cc5-c2ccc(C)cc2)C(C)(C)C4)C(C)(C)C3)c1
InChIInChI=1S/C65H86N6O9/c1-45-10-14-49(15-11-45)52-37-56-62(51-35-47(43-66-18-20-75-26-28-79-32-30-77-24-22-72-7)34-48(36-51)44-67-19-21-76-27-29-80-33-31-78-25-23-73-8)58-41-64(3,4)60(70-58)40-55-53(50-16-12-46(2)13-17-50)38-57(69-55)63(74-9)59-42-65(5,6)61(71-59)39-54(52)68-56/h10-17,34-40,66-69H,18-33,41-44H2,1-9H3/b54-39-,55-40-,60-40-,61-39-,62-56-,62-58-,63-57+,63-59+
InChIKeyBDSCBUXDZWIGBY-IIWYSGFGSA-N
MW1095.44 g/mol
LogP10.55
Rot. Bonds32

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine (PubChem CID 16741516) has the molecular formula C65H86N6O9 and a molecular weight of 1095.44 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine
PubChem CID16741516
Molecular FormulaC65H86N6O9
Molecular Weight1095.44 g/mol
Exact Mass1094.65
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine
SMILESCOCCOCCOCCOCCNCc1cc(CNCCOCCOCCOCCOC)cc(-c2c3nc(cc4[nH]c(cc4-c4ccc(C)cc4)c(OC)c4nc(cc5[nH]c2cc5-c2ccc(C)cc2)C(C)(C)C4)C(C)(C)C3)c1
InChIInChI=1S/C65H86N6O9/c1-45-10-14-49(15-11-45)52-37-56-62(51-35-47(43-66-18-20-75-26-28-79-32-30-77-24-22-72-7)34-48(36-51)44-67-19-21-76-27-29-80-33-31-78-25-23-73-8)58-41-64(3,4)60(70-58)40-55-53(50-16-12-46(2)13-17-50)38-57(69-55)63(74-9)59-42-65(5,6)61(71-59)39-54(52)68-56/h10-17,34-40,66-69H,18-33,41-44H2,1-9H3/b54-39-,55-40-,60-40-,61-39-,62-56-,62-58-,63-57+,63-59+
InChIKeyBDSCBUXDZWIGBY-IIWYSGFGSA-N
XLogP10.55
TPSA164.49 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds32
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.44
LogP ≤ 510.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine (CID 16741516) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine is COCCOCCOCCOCCNCc1cc(CNCCOCCOCCOCCOC)cc(-c2c3nc(cc4[nH]c(cc4-c4ccc(C)cc4)c(OC)c4nc(cc5[nH]c2cc5-c2ccc(C)cc2)C(C)(C)C4)C(C)(C)C3)c1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine?
The InChIKey is BDSCBUXDZWIGBY-IIWYSGFGSA-N. The full InChI is InChI=1S/C65H86N6O9/c1-45-10-14-49(15-11-45)52-37-56-62(51-35-47(43-66-18-20-75-26-28-79-32-30-77-24-22-72-7)34-48(36-51)44-67-19-21-76-27-29-80-33-31-78-25-23-73-8)58-41-64(3,4)60(70-58)40-55-53(50-16-12-46(2)13-17-50)38-57(69-55)63(74-9)59-42-65(5,6)61(71-59)39-54(52)68-56/h10-17,34-40,66-69H,18-33,41-44H2,1-9H3/b54-39-,55-40-,60-40-,61-39-,62-56-,62-58-,63-57+,63-59+.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine has a molecular weight of 1095.44 g/mol, XLogP of 10.55, 32 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[[3-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]methyl]-5-[15-methoxy-2,2,12,12-tetramethyl-8,18-bis(4-methylphenyl)-3,13,22,24-tetrahydroporphyrin-5-yl]phenyl]methyl]ethanamine is sourced from PubChem (CID 16741516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).