About iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol
iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol (PubChem CID 158400137) has the molecular formula C201H163I2N17O21S
and a molecular weight of 3438.49 g/mol. Its IUPAC name is iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol.
Frequently Asked Questions
What is the IUPAC name of iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol?
The IUPAC name of iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol (CID 158400137) is iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol.
What is the SMILES notation for iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol?
The canonical SMILES for iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol is CI.CI.COc1cccc(-c2c3cc(c(-c4cccc(OC)c4)c4ccc([nH]4)c(-c4cccc(OC)c4)c4nc(c(-c5cccc(OC)c5)c5ccc2[nH]5)C=C4)N=C3)c1.COc1cccc(/C2=C3\C=CC(=N3)/C(c3cccc(OC)c3)=c3/cc/c([nH]3)=C(\c3cccc(OC)c3)C3=N/C(=C(/c4cccc(OC)c4)c4cc2cn4C)C=C3)c1.COc1cccc(C=O)c1.CS(=O)(=O)O.Cn1cc2cc1/C(c1cccc(O)c1)=C1/C=CC(=N1)/C(c1cccc(O)c1)=c1/cc/c([nH]1)=C(\c1cccc(O)c1)C1=N/C(=C\2c2cccc(O)c2)C=C1.Oc1cccc(-c2c3cc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc(c(-c5cccc(O)c5)c5ccc2[nH]5)C=C4)N=C3)c1.c1cc[nH]c1.
What is the InChIKey of iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol?
The InChIKey is QNWOFBKLDBLZKH-CRXBXUEWSA-N. The full InChI is InChI=1S/C49H40N4O4.C48H38N4O4.C45H32N4O4.C44H30N4O4.C8H8O2.C4H5N.2CH3I.CH4O3S/c1-53-29-34-28-45(53)49(33-13-9-17-38(27-33)57-5)44-23-22-43(52-44)48(32-12-8-16-37(26-32)56-4)42-21-20-41(51-42)47(31-11-7-15-36(25-31)55-3)40-19-18-39(50-40)46(34)30-10-6-14-35(24-30)54-2;1-53-34-13-5-9-29(23-34)45-33-27-44(49-28-33)48(32-12-8-16-37(26-32)56-4)43-22-21-42(52-43)47(31-11-7-15-36(25-31)55-3)41-20-19-40(51-41)46(39-18-17-38(45)50-39)30-10-6-14-35(24-30)54-2;1-49-25-30-24-41(49)45(29-9-5-13-34(53)23-29)40-19-18-39(48-40)44(28-8-4-12-33(52)22-28)38-17-16-37(47-38)43(27-7-3-11-32(51)21-27)36-15-14-35(46-36)42(30)26-6-2-10-31(50)20-26;49-30-9-1-5-25(19-30)41-29-23-40(45-24-29)44(28-8-4-12-33(52)22-28)39-18-17-38(48-39)43(27-7-3-11-32(51)21-27)37-16-15-36(47-37)42(35-14-13-34(41)46-35)26-6-2-10-31(50)20-26;1-10-8-4-2-3-7(5-8)6-9;1-2-4-5-3-1;2*1-2;1-5(2,3)4/h6-29,51H,1-5H3;5-28,50,52H,1-4H3;2-25,47,50-53H,1H3;1-24,46,48-52H;2-6H,1H3;1-5H;2*1H3;1H3,(H,2,3,4)/b46-39-,47-41-,48-42-,49-44-;45-33+,45-38-,46-39-,46-40-,47-41-,47-42-,48-43-,48-44+;42-35-,43-37-,44-38-,45-40-;41-29+,41-34-,42-35-,42-36-,43-37-,43-38-,44-39-,44-40+;;;;;.
What are the key properties of iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol?
iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol has a molecular weight of 3438.49 g/mol, XLogP of 40.87, 26 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;methanesulfonic acid;3-methoxybenzaldehyde;1H-pyrrole;2,7,12,17-tetrakis(3-methoxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaene;2,7,12,17-tetrakis(3-methoxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene;3-[2,7,12-tris(3-hydroxyphenyl)-4-methyl-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),5,7,9,11(23),12,14,16,18(21),19-undecaen-17-yl]phenol;3-[2,7,17-tris(3-hydroxyphenyl)-4,21,22,23-tetrazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-12-yl]phenol is sourced from PubChem (CID 158400137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).