3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide

C49H34N4O6 — CID 70266786

IUPAC3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3ccc4cccc5c4c3C=CC5NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2c1
InChIInChI=1S/C49H34N4O6/c54-43-26-30-15-17-32(23-34(30)24-39(43)48(58)51-36-11-5-2-6-12-36)47(57)52-42-21-19-38-41(20-18-28-8-7-13-37(42)45(28)38)53-49(59)40-25-33-22-31(16-14-29(33)27-44(40)55)46(56)50-35-9-3-1-4-10-35/h1-27,42,54-55H,(H,50,56)(H,51,58)(H,52,57)(H,53,59)
InChIKeyWFAZBGWAIKDKPP-UHFFFAOYSA-N
MW774.83 g/mol
LogP9.81
Rot. Bonds8

About 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide

3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide (PubChem CID 70266786) has the molecular formula C49H34N4O6 and a molecular weight of 774.83 g/mol. Its IUPAC name is 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide
PubChem CID70266786
Molecular FormulaC49H34N4O6
Molecular Weight774.83 g/mol
Exact Mass774.25
IUPAC Name3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide
SMILESO=C(Nc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3ccc4cccc5c4c3C=CC5NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2c1
InChIInChI=1S/C49H34N4O6/c54-43-26-30-15-17-32(23-34(30)24-39(43)48(58)51-36-11-5-2-6-12-36)47(57)52-42-21-19-38-41(20-18-28-8-7-13-37(42)45(28)38)53-49(59)40-25-33-22-31(16-14-29(33)27-44(40)55)46(56)50-35-9-3-1-4-10-35/h1-27,42,54-55H,(H,50,56)(H,51,58)(H,52,57)(H,53,59)
InChIKeyWFAZBGWAIKDKPP-UHFFFAOYSA-N
XLogP9.81
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.83
LogP ≤ 59.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide 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 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The IUPAC name of 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide (CID 70266786) is 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The canonical SMILES for 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide is O=C(Nc1ccccc1)c1ccc2cc(O)c(C(=O)Nc3ccc4cccc5c4c3C=CC5NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2c1.
What is the InChIKey of 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The InChIKey is WFAZBGWAIKDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4O6/c54-43-26-30-15-17-32(23-34(30)24-39(43)48(58)51-36-11-5-2-6-12-36)47(57)52-42-21-19-38-41(20-18-28-8-7-13-37(42)45(28)38)53-49(59)40-25-33-22-31(16-14-29(33)27-44(40)55)46(56)50-35-9-3-1-4-10-35/h1-27,42,54-55H,(H,50,56)(H,51,58)(H,52,57)(H,53,59).
What are the key properties of 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide has a molecular weight of 774.83 g/mol, XLogP of 9.81, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 70266786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).