terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene

C30H44N6Tb-2 — CID 58895091

IUPACterbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene
SMILESC/C1=N/CC(Cc2ccc(C)cc2)/N=C(\C)C2CCCC([N-]2)/C(C)=N/CC/N=C(\C)C2CCCC1[N-]2.[Tb]
InChIInChI=1S/C30H44N6.Tb/c1-20-12-14-25(15-13-20)18-26-19-33-23(4)29-10-6-8-27(35-29)21(2)31-16-17-32-22(3)28-9-7-11-30(36-28)24(5)34-26;/h12-15,26-30H,6-11,16-19H2,1-5H3;/q-2;/b31-21+,32-22+,33-23-,34-24+;
InChIKeyQNDHKHWZAUWDRA-ZQYSXTBOSA-N
MW647.65 g/mol
LogP6.35
Rot. Bonds2

About terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene

terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene (PubChem CID 58895091) has the molecular formula C30H44N6Tb-2 and a molecular weight of 647.65 g/mol. Its IUPAC name is terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene.

Molecular Properties

Compound Nameterbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene
PubChem CID58895091
Molecular FormulaC30H44N6Tb-2
Molecular Weight647.65 g/mol
Exact Mass647.29
IUPAC Nameterbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene
SMILESC/C1=N/CC(Cc2ccc(C)cc2)/N=C(\C)C2CCCC([N-]2)/C(C)=N/CC/N=C(\C)C2CCCC1[N-]2.[Tb]
InChIInChI=1S/C30H44N6.Tb/c1-20-12-14-25(15-13-20)18-26-19-33-23(4)29-10-6-8-27(35-29)21(2)31-16-17-32-22(3)28-9-7-11-30(36-28)24(5)34-26;/h12-15,26-30H,6-11,16-19H2,1-5H3;/q-2;/b31-21+,32-22+,33-23-,34-24+;
InChIKeyQNDHKHWZAUWDRA-ZQYSXTBOSA-N
XLogP6.35
TPSA77.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.65
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene?
The IUPAC name of terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene (CID 58895091) is terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene.
What is the SMILES notation for terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene?
The canonical SMILES for terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene is C/C1=N/CC(Cc2ccc(C)cc2)/N=C(\C)C2CCCC([N-]2)/C(C)=N/CC/N=C(\C)C2CCCC1[N-]2.[Tb].
What is the InChIKey of terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene?
The InChIKey is QNDHKHWZAUWDRA-ZQYSXTBOSA-N. The full InChI is InChI=1S/C30H44N6.Tb/c1-20-12-14-25(15-13-20)18-26-19-33-23(4)29-10-6-8-27(35-29)21(2)31-16-17-32-22(3)28-9-7-11-30(36-28)24(5)34-26;/h12-15,26-30H,6-11,16-19H2,1-5H3;/q-2;/b31-21+,32-22+,33-23-,34-24+;.
What are the key properties of terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene?
terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene has a molecular weight of 647.65 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for terbium;2,7,13,18-tetramethyl-4-[(4-methylphenyl)methyl]-3,6,14,17-tetraza-23,24-diazanidatricyclo[17.3.1.18,12]tetracosa-2,6,13,17-tetraene is sourced from PubChem (CID 58895091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).