phenyl-[5,10,15,20-tetra(pentan-3-yl)-21,22-dihydroporphyrin-2-yl]methanol

Systemtic Name: phenyl-[5,10,15,20-tetra(pentan-3-yl)-21,22-dihydroporphyrin-2-yl]methanol Openeye Name: phenyl-[5,10,15,20-tetrakis(1-ethylpropyl)-21,22-dihydroporphyrin-2-yl]methanol CAS Name: phenyl-[5,10,15,20-tetra(pentan-3-yl)-21,22-dihydroporphyrin-2-yl]methanol IUPAC Name: phenyl-[5,10,15,20-tetra(pentan-3-yl)-21,22-dihydroporphyrin-2-yl]methanol Traditional Name: phenyl-[5,10,15,20-tetrakis(1-ethylpropyl)-21,22-dihydroporphin-2-yl]methanol Formula: C47H60N4O MolecularWeight: 697.0055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2C=CC(=C(C3=CC(=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(CC)CC)C(CC)CC)C(C6=CC=CC=C6)O)C(CC)CC)N2

Isomeric SMILES

CCC(CC)C1=C2C=CC(=C(C3=CC(=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C(CC)CC)C(CC)CC)C(C6=CC=CC=C6)O)C(CC)CC)N2

InChI

InChI=1S/C47H60N4O/c1-9-29(10-2)42-35-22-23-36(48-35)43(30(11-3)12-4)38-26-27-40(50-38)45(32(15-7)16-8)46-34(47(52)33-20-18-17-19-21-33)28-41(51-46)44(31(13-5)14-6)39-25-24-37(42)49-39/h17-32,47,49,51-52H,9-16H2,1-8H3