4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide

C48H30N8O4 — CID 59301844

IUPAC4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
SMILESO=C(Nc1ccccc1)c1nc2c3cccc4c5nc(C(=O)Nc6ccccc6)c(C(=O)Nc6ccccc6)nc5c5cccc(c2nc1C(=O)Nc1ccccc1)c5c34
InChIInChI=1S/C48H30N8O4/c57-45(49-27-15-5-1-6-16-27)41-42(46(58)50-28-17-7-2-8-18-28)54-38-32-24-14-26-34-36(32)35-31(37(38)53-41)23-13-25-33(35)39-40(34)56-44(48(60)52-30-21-11-4-12-22-30)43(55-39)47(59)51-29-19-9-3-10-20-29/h1-26H,(H,49,57)(H,50,58)(H,51,59)(H,52,60)
InChIKeyFJTOVGHJIPGWTM-UHFFFAOYSA-N
MW782.82 g/mol
LogP9.48
Rot. Bonds8

About 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide

4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide (PubChem CID 59301844) has the molecular formula C48H30N8O4 and a molecular weight of 782.82 g/mol. Its IUPAC name is 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide.

Molecular Properties

Compound Name4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
PubChem CID59301844
Molecular FormulaC48H30N8O4
Molecular Weight782.82 g/mol
Exact Mass782.24
IUPAC Name4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide
SMILESO=C(Nc1ccccc1)c1nc2c3cccc4c5nc(C(=O)Nc6ccccc6)c(C(=O)Nc6ccccc6)nc5c5cccc(c2nc1C(=O)Nc1ccccc1)c5c34
InChIInChI=1S/C48H30N8O4/c57-45(49-27-15-5-1-6-16-27)41-42(46(58)50-28-17-7-2-8-18-28)54-38-32-24-14-26-34-36(32)35-31(37(38)53-41)23-13-25-33(35)39-40(34)56-44(48(60)52-30-21-11-4-12-22-30)43(55-39)47(59)51-29-19-9-3-10-20-29/h1-26H,(H,49,57)(H,50,58)(H,51,59)(H,52,60)
InChIKeyFJTOVGHJIPGWTM-UHFFFAOYSA-N
XLogP9.48
TPSA167.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.82
LogP ≤ 59.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide with MolForge

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Related Compounds

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8-fluoro-2-methyl-N-phenylquinoline-4-carboxamide
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2-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
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2,4-dichloro-N-phenylquinoline-3-carboxamide
CID 2786668
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
5-amino-1-methyl-N-phenyltriazole-4-carboxamide
CID 105470817
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592

Frequently Asked Questions

What is the IUPAC name of 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide?
The IUPAC name of 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide (CID 59301844) is 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide.
What is the SMILES notation for 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide?
The canonical SMILES for 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide is O=C(Nc1ccccc1)c1nc2c3cccc4c5nc(C(=O)Nc6ccccc6)c(C(=O)Nc6ccccc6)nc5c5cccc(c2nc1C(=O)Nc1ccccc1)c5c34.
What is the InChIKey of 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide?
The InChIKey is FJTOVGHJIPGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N8O4/c57-45(49-27-15-5-1-6-16-27)41-42(46(58)50-28-17-7-2-8-18-28)54-38-32-24-14-26-34-36(32)35-31(37(38)53-41)23-13-25-33(35)39-40(34)56-44(48(60)52-30-21-11-4-12-22-30)43(55-39)47(59)51-29-19-9-3-10-20-29/h1-26H,(H,49,57)(H,50,58)(H,51,59)(H,52,60).
What are the key properties of 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide?
4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide has a molecular weight of 782.82 g/mol, XLogP of 9.48, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N,15-N,16-N-tetraphenyl-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene-4,5,15,16-tetracarboxamide is sourced from PubChem (CID 59301844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).