N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide

C74H84N6O12 — CID 10418908

About N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide

N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide (PubChem CID 10418908) has the molecular formula C74H84N6O12 and a molecular weight of 1249.52 g/mol. Its IUPAC name is N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide
• PubChem CID: 10418908
• Molecular Formula: C74H84N6O12
• Molecular Weight: 1249.52 g/mol
• Exact Mass: 1248.61
• IUPAC Name: N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide
• SMILES: CCC1=C(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1ccccc1NC(=O)c1ccc3c(c1)OCCOCCOCCOCCO3)c1[nH]c(cc3nc(c2-c2ccccc2NC(=O)c2ccc4c(c2)OCCOCCOCCOCCO4)C(C)=C3CC)c(CC)c1C
• InChI: InChI=1S/C74H84N6O12/c1-9-51-45(5)69-67(55-17-13-15-19-57(55)79-73(81)49-21-23-63-65(41-49)91-39-35-87-31-27-83-25-29-85-33-37-89-63)70-47(7)53(11-3)61(77-70)44-62-54(12-4)48(8)72(78-62)68(71-46(6)52(10-2)60(76-71)43-59(51)75-69)56-18-14-16-20-58(56)80-74(82)50-22-24-64-66(42-50)92-40-36-88-32-28-84-26-30-86-34-38-90-64/h13-24,41-44,75,77H,9-12,25-40H2,1-8H3,(H,79,81)(H,80,82)/b59-43-,60-43-,61-44-,62-44-,69-67-,70-67-,71-68-,72-68-
• InChIKey: VLJGWVDKRNJCTM-UQWPBJJUSA-N
• XLogP: 14.22
• TPSA: 207.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.52
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide?

The IUPAC name of N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide (CID 10418908) is N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide.

What is the SMILES notation for N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide?

The canonical SMILES for N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide is CCC1=C(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1ccccc1NC(=O)c1ccc3c(c1)OCCOCCOCCOCCO3)c1[nH]c(cc3nc(c2-c2ccccc2NC(=O)c2ccc4c(c2)OCCOCCOCCOCCO4)C(C)=C3CC)c(CC)c1C.

What is the InChIKey of N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide?

The InChIKey is VLJGWVDKRNJCTM-UQWPBJJUSA-N. The full InChI is InChI=1S/C74H84N6O12/c1-9-51-45(5)69-67(55-17-13-15-19-57(55)79-73(81)49-21-23-63-65(41-49)91-39-35-87-31-27-83-25-29-85-33-37-89-63)70-47(7)53(11-3)61(77-70)44-62-54(12-4)48(8)72(78-62)68(71-46(6)52(10-2)60(76-71)43-59(51)75-69)56-18-14-16-20-58(56)80-74(82)50-22-24-64-66(42-50)92-40-36-88-32-28-84-26-30-86-34-38-90-64/h13-24,41-44,75,77H,9-12,25-40H2,1-8H3,(H,79,81)(H,80,82)/b59-43-,60-43-,61-44-,62-44-,69-67-,70-67-,71-68-,72-68-.

What are the key properties of N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide?

N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide has a molecular weight of 1249.52 g/mol, XLogP of 14.22, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-15-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbonylamino)phenyl]-21,22-dihydroporphyrin-5-yl]phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carboxamide is sourced from PubChem (CID 10418908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).