N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide

C41H42N2O2 — CID 137492006

IUPACN-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide
SMILESO=C(NCCCCCCCCCCCNC(=O)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C41H42N2O2/c44-40(38-34-22-12-8-18-30(34)28-31-19-9-13-23-35(31)38)42-26-16-6-4-2-1-3-5-7-17-27-43-41(45)39-36-24-14-10-20-32(36)29-33-21-11-15-25-37(33)39/h8-15,18-25,28-29H,1-7,16-17,26-27H2,(H,42,44)(H,43,45)
InChIKeyKUEXXWRFEUUWLP-UHFFFAOYSA-N
MW594.80 g/mol
LogP9.97
Rot. Bonds14

About N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide

N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide (PubChem CID 137492006) has the molecular formula C41H42N2O2 and a molecular weight of 594.80 g/mol. Its IUPAC name is N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide.

Molecular Properties

Compound NameN-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide
PubChem CID137492006
Molecular FormulaC41H42N2O2
Molecular Weight594.80 g/mol
Exact Mass594.32
IUPAC NameN-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide
SMILESO=C(NCCCCCCCCCCCNC(=O)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C41H42N2O2/c44-40(38-34-22-12-8-18-30(34)28-31-19-9-13-23-35(31)38)42-26-16-6-4-2-1-3-5-7-17-27-43-41(45)39-36-24-14-10-20-32(36)29-33-21-11-15-25-37(33)39/h8-15,18-25,28-29H,1-7,16-17,26-27H2,(H,42,44)(H,43,45)
InChIKeyKUEXXWRFEUUWLP-UHFFFAOYSA-N
XLogP9.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 59.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(anthracene-9-carbonylamino)ethyl-triethylazanium
CID 118566323
N-[2-[bis(2-aminoethyl)amino]ethyl]anthracene-9-carboxamide
CID 102471528
N-[3-[[2-[3-[2-(anthracen-9-ylmethylamino)-2-oxoethyl]phenyl]acetyl]amino]propyl]anthracene-9-carboxamide
CID 101355576
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(6-hydroxyhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 103919131
3-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758
1-N,2-N,3-N-tris[4-(oxiran-2-ylmethoxy)butyl]naphthalene-1,2,3-tricarboxamide
CID 88622231
N-(5,5-dimethylhexyl)acridine-9-carboxamide
CID 88589115
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780

Frequently Asked Questions

What is the IUPAC name of N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide?
The IUPAC name of N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide (CID 137492006) is N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide.
What is the SMILES notation for N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide?
The canonical SMILES for N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide is O=C(NCCCCCCCCCCCNC(=O)c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide?
The InChIKey is KUEXXWRFEUUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42N2O2/c44-40(38-34-22-12-8-18-30(34)28-31-19-9-13-23-35(31)38)42-26-16-6-4-2-1-3-5-7-17-27-43-41(45)39-36-24-14-10-20-32(36)29-33-21-11-15-25-37(33)39/h8-15,18-25,28-29H,1-7,16-17,26-27H2,(H,42,44)(H,43,45).
What are the key properties of N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide?
N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide has a molecular weight of 594.80 g/mol, XLogP of 9.97, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(anthracene-9-carbonylamino)undecyl]anthracene-9-carboxamide is sourced from PubChem (CID 137492006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).