4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide

C68H52N8O8 — CID 144544160

About 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide

4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 144544160) has the molecular formula C68H52N8O8 and a molecular weight of 1109.21 g/mol. Its IUPAC name is 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
• PubChem CID: 144544160
• Molecular Formula: C68H52N8O8
• Molecular Weight: 1109.21 g/mol
• Exact Mass: 1108.39
• IUPAC Name: 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide
• SMILES: O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4-c4cccc(NC(=O)c5ccc(C(=O)Nc6cccc(NC(O)c7ccc(C(=O)Nc8ccccc8)cc7)c6)cc5)c4)cc3)cc2)cc1
• InChI: InChI=1S/C68H52N8O8/c77-61(69-52-12-3-1-4-13-52)43-21-23-45(24-22-43)63(79)71-54-37-39-55(40-38-54)72-64(80)46-33-35-50(36-34-46)68(84)76-60-20-8-7-19-59(60)51-11-9-16-56(41-51)73-65(81)47-29-31-49(32-30-47)67(83)75-58-18-10-17-57(42-58)74-66(82)48-27-25-44(26-28-48)62(78)70-53-14-5-2-6-15-53/h1-42,66,74,82H,(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,81)(H,75,83)(H,76,84)
• InChIKey: QPTBFARLEYYROZ-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 235.96 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1109.21
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?

The IUPAC name of 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide (CID 144544160) is 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide is O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccccc4-c4cccc(NC(=O)c5ccc(C(=O)Nc6cccc(NC(O)c7ccc(C(=O)Nc8ccccc8)cc7)c6)cc5)c4)cc3)cc2)cc1.

What is the InChIKey of 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?

The InChIKey is QPTBFARLEYYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H52N8O8/c77-61(69-52-12-3-1-4-13-52)43-21-23-45(24-22-43)63(79)71-54-37-39-55(40-38-54)72-64(80)46-33-35-50(36-34-46)68(84)76-60-20-8-7-19-59(60)51-11-9-16-56(41-51)73-65(81)47-29-31-49(32-30-47)67(83)75-58-18-10-17-57(42-58)74-66(82)48-27-25-44(26-28-48)62(78)70-53-14-5-2-6-15-53/h1-42,66,74,82H,(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,81)(H,75,83)(H,76,84).

What are the key properties of 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide?

4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 1109.21 g/mol, XLogP of 13.22, 18 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[4-[[4-[[2-[3-[[4-[[3-[[hydroxy-[4-(phenylcarbamoyl)phenyl]methyl]amino]phenyl]carbamoyl]benzoyl]amino]phenyl]phenyl]carbamoyl]benzoyl]amino]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 144544160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).