3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide

C49H36N4O6 — CID 19595926

IUPAC3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2)cc1)c1ccc2cc(O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C49H36N4O6/c54-44-28-32-15-17-34(24-36(32)26-42(44)48(58)52-38-7-3-1-4-8-38)46(56)50-40-19-11-30(12-20-40)23-31-13-21-41(22-14-31)51-47(57)35-18-16-33-29-45(55)43(27-37(33)25-35)49(59)53-39-9-5-2-6-10-39/h1-22,24-29,54-55H,23H2,(H,50,56)(H,51,57)(H,52,58)(H,53,59)
InChIKeyAUXPIKVPFNOGRB-UHFFFAOYSA-N
MW776.85 g/mol
LogP10.00
Rot. Bonds10

About 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide

3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide (PubChem CID 19595926) has the molecular formula C49H36N4O6 and a molecular weight of 776.85 g/mol. Its IUPAC name is 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
PubChem CID19595926
Molecular FormulaC49H36N4O6
Molecular Weight776.85 g/mol
Exact Mass776.26
IUPAC Name3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2)cc1)c1ccc2cc(O)c(C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C49H36N4O6/c54-44-28-32-15-17-34(24-36(32)26-42(44)48(58)52-38-7-3-1-4-8-38)46(56)50-40-19-11-30(12-20-40)23-31-13-21-41(22-14-31)51-47(57)35-18-16-33-29-45(55)43(27-37(33)25-35)49(59)53-39-9-5-2-6-10-39/h1-22,24-29,54-55H,23H2,(H,50,56)(H,51,57)(H,52,58)(H,53,59)
InChIKeyAUXPIKVPFNOGRB-UHFFFAOYSA-N
XLogP10.00
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.85
LogP ≤ 510.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-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

Related Compounds

7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 20667848
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
4-[(6,7-dichloronaphthalen-2-yl)methyl]-N-phenylbenzamide
CID 59058109
ethane;3-hydroxy-7-methyl-N-phenylnaphthalene-2-carboxamide;methane
CID 160768568
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091
3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
N-[3-chloro-4-(phenylcarbamoyl)phenyl]-6-hydroxynaphthalene-2-carboxamide
CID 54510181

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The IUPAC name of 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide (CID 19595926) is 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The canonical SMILES for 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide is O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc4cc(O)c(C(=O)Nc5ccccc5)cc4c3)cc2)cc1)c1ccc2cc(O)c(C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
The InChIKey is AUXPIKVPFNOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N4O6/c54-44-28-32-15-17-34(24-36(32)26-42(44)48(58)52-38-7-3-1-4-8-38)46(56)50-40-19-11-30(12-20-40)23-31-13-21-41(22-14-31)51-47(57)35-18-16-33-29-45(55)43(27-37(33)25-35)49(59)53-39-9-5-2-6-10-39/h1-22,24-29,54-55H,23H2,(H,50,56)(H,51,57)(H,52,58)(H,53,59).
What are the key properties of 3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide?
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide has a molecular weight of 776.85 g/mol, XLogP of 10.00, 10 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-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 19595926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).