tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium

C60H77N4O9Tb- — CID 139183106

About tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium

tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium (PubChem CID 139183106) has the molecular formula C60H77N4O9Tb- and a molecular weight of 1157.22 g/mol. Its IUPAC name is tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium.

Molecular Properties

• Compound Name: tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium
• PubChem CID: 139183106
• Molecular Formula: C60H77N4O9Tb-
• Molecular Weight: 1157.22 g/mol
• Exact Mass: 1156.49
• IUPAC Name: tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium
• SMILES: COCCOC.COCCOC.COCCOC.COCCOC.COc1ccc([C+]2c3ccc([n-]3)[C+](c3c(C)cc(C)cc3C)c3ccc([n-]3)-c3ccc([n-]3)[C+](c3c(C)cc(C)cc3C)c3ccc2[n-]3)cc1.[Tb]
• InChI: InChI=1S/C44H37N4O.4C4H10O2.Tb/c1-24-20-26(3)40(27(4)21-24)43-36-14-12-32(45-36)33-13-15-37(46-33)44(41-28(5)22-25(2)23-29(41)6)39-19-17-35(48-39)42(34-16-18-38(43)47-34)30-8-10-31(49-7)11-9-30;4*1-5-3-4-6-2;/h8-23H,1-7H3;4*3-4H2,1-2H3;/q-1
• InChIKey: DAIDNUPKTRWAAB-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 139.47 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.22
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium?

The IUPAC name of tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium (CID 139183106) is tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium.

What is the SMILES notation for tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium?

The canonical SMILES for tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium is COCCOC.COCCOC.COCCOC.COCCOC.COc1ccc([C+]2c3ccc([n-]3)[C+](c3c(C)cc(C)cc3C)c3ccc([n-]3)-c3ccc([n-]3)[C+](c3c(C)cc(C)cc3C)c3ccc2[n-]3)cc1.[Tb].

What is the InChIKey of tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium?

The InChIKey is DAIDNUPKTRWAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N4O.4C4H10O2.Tb/c1-24-20-26(3)40(27(4)21-24)43-36-14-12-32(45-36)33-13-15-37(46-33)44(41-28(5)22-25(2)23-29(41)6)39-19-17-35(48-39)42(34-16-18-38(43)47-34)30-8-10-31(49-7)11-9-30;4*1-5-3-4-6-2;/h8-23H,1-7H3;4*3-4H2,1-2H3;/q-1;;;;;.

What are the key properties of tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium?

tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium has a molecular weight of 1157.22 g/mol, XLogP of 9.53, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1,2-dimethoxyethane);10-(4-methoxyphenyl)-5,15-bis(2,4,6-trimethylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;terbium is sourced from PubChem (CID 139183106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).