24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide

C97H132N8 — CID 158827796

IUPAC24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide
SMILESC=[n+]1/c2cc[c-]1/C(C)=c1/cc[c-]([n+]1=C)-[c-]1cc/c([n+]1=C)=C(\C)[c-]1ccc([n+]1C)\C=2C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-][N+]1=C2C=C/C1=C(\c1ccccc1)c1ccc3n1Cn1/c(cc/c1=C(\c1ccccc1)C1=[N+]([CH2-])/C(=C\3c3ccccc3)C=C1)=C\2c1ccccc1
InChIInChI=1S/C47H34N4.C26H26N4.12C2H6/c1-48-36-23-24-37(48)45(33-17-9-4-10-18-33)41-28-30-43-47(35-21-13-6-14-22-35)39-26-25-38(49(39)2)46(34-19-11-5-12-20-34)42-29-27-40(50(42)31-51(41)43)44(36)32-15-7-3-8-16-32;1-16-19-8-10-21(27(19)4)17(2)23-12-14-25(29(23)6)26-15-13-24(30(26)7)18(3)22-11-9-20(16)28(22)5;12*1-2/h3-30H,1-2,31H2;8-15H,4,6-7H2,1-3,5H3;12*1-2H3/b44-36-,44-40-,45-37-,45-41-,46-38-,46-42-,47-39-,47-43-;19-16-,23-17-,24-18-;;;;;;;;;;;;
InChIKeyIWQVAIPURCYLOY-PZTANPGDSA-N
MW1410.18 g/mol
LogP19.49
Rot. Bonds4

About 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide

24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide (PubChem CID 158827796) has the molecular formula C97H132N8 and a molecular weight of 1410.18 g/mol. Its IUPAC name is 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide.

Molecular Properties

Compound Name24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide
PubChem CID158827796
Molecular FormulaC97H132N8
Molecular Weight1410.18 g/mol
Exact Mass1409.06
IUPAC Name24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide
SMILESC=[n+]1/c2cc[c-]1/C(C)=c1/cc[c-]([n+]1=C)-[c-]1cc/c([n+]1=C)=C(\C)[c-]1ccc([n+]1C)\C=2C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-][N+]1=C2C=C/C1=C(\c1ccccc1)c1ccc3n1Cn1/c(cc/c1=C(\c1ccccc1)C1=[N+]([CH2-])/C(=C\3c3ccccc3)C=C1)=C\2c1ccccc1
InChIInChI=1S/C47H34N4.C26H26N4.12C2H6/c1-48-36-23-24-37(48)45(33-17-9-4-10-18-33)41-28-30-43-47(35-21-13-6-14-22-35)39-26-25-38(49(39)2)46(34-19-11-5-12-20-34)42-29-27-40(50(42)31-51(41)43)44(36)32-15-7-3-8-16-32;1-16-19-8-10-21(27(19)4)17(2)23-12-14-25(29(23)6)26-15-13-24(30(26)7)18(3)22-11-9-20(16)28(22)5;12*1-2/h3-30H,1-2,31H2;8-15H,4,6-7H2,1-3,5H3;12*1-2H3/b44-36-,44-40-,45-37-,45-41-,46-38-,46-42-,47-39-,47-43-;19-16-,23-17-,24-18-;;;;;;;;;;;;
InChIKeyIWQVAIPURCYLOY-PZTANPGDSA-N
XLogP19.49
TPSA37.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001410.18
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide 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 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide?
The IUPAC name of 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide (CID 158827796) is 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide.
What is the SMILES notation for 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide?
The canonical SMILES for 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide is C=[n+]1/c2cc[c-]1/C(C)=c1/cc[c-]([n+]1=C)-[c-]1cc/c([n+]1=C)=C(\C)[c-]1ccc([n+]1C)\C=2C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[CH2-][N+]1=C2C=C/C1=C(\c1ccccc1)c1ccc3n1Cn1/c(cc/c1=C(\c1ccccc1)C1=[N+]([CH2-])/C(=C\3c3ccccc3)C=C1)=C\2c1ccccc1.
What is the InChIKey of 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide?
The InChIKey is IWQVAIPURCYLOY-PZTANPGDSA-N. The full InChI is InChI=1S/C47H34N4.C26H26N4.12C2H6/c1-48-36-23-24-37(48)45(33-17-9-4-10-18-33)41-28-30-43-47(35-21-13-6-14-22-35)39-26-25-38(49(39)2)46(34-19-11-5-12-20-34)42-29-27-40(50(42)31-51(41)43)44(36)32-15-7-3-8-16-32;1-16-19-8-10-21(27(19)4)17(2)23-12-14-25(29(23)6)26-15-13-24(30(26)7)18(3)22-11-9-20(16)28(22)5;12*1-2/h3-30H,1-2,31H2;8-15H,4,6-7H2,1-3,5H3;12*1-2H3/b44-36-,44-40-,45-37-,45-41-,46-38-,46-42-,47-39-,47-43-;19-16-,23-17-,24-18-;;;;;;;;;;;;.
What are the key properties of 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide?
24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide has a molecular weight of 1410.18 g/mol, XLogP of 19.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 24,25-dimethanidyl-2,7,12,17-tetraphenyl-21,23-diaza-24,25-diazoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene;ethane;5,10,15,22-tetramethyl-21,23,24-trimethylidenecorrin-21,22,23,24-tetraium-1,6,14,19-tetraide is sourced from PubChem (CID 158827796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).