[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone

C66H44N2O4 — CID 20665503

IUPAC[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N(c2ccc(C(=O)c3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C(=O)c4ccccc4)cc3)c3ccc(C(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C66H44N2O4/c69-63(45-17-5-1-6-18-45)49-29-37-53(38-30-49)67(54-39-31-50(32-40-54)64(70)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)68(55-41-33-51(34-42-55)65(71)47-21-9-3-10-22-47)56-43-35-52(36-44-56)66(72)48-23-11-4-12-24-48/h1-44H
InChIKeyBXVBHMYKDCGUAK-UHFFFAOYSA-N
MW929.09 g/mol
LogP15.86
Rot. Bonds14

About [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone

[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone (PubChem CID 20665503) has the molecular formula C66H44N2O4 and a molecular weight of 929.09 g/mol. Its IUPAC name is [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone
PubChem CID20665503
Molecular FormulaC66H44N2O4
Molecular Weight929.09 g/mol
Exact Mass928.33
IUPAC Name[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N(c2ccc(C(=O)c3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C(=O)c4ccccc4)cc3)c3ccc(C(=O)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C66H44N2O4/c69-63(45-17-5-1-6-18-45)49-29-37-53(38-30-49)67(54-39-31-50(32-40-54)64(70)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)68(55-41-33-51(34-42-55)65(71)47-21-9-3-10-22-47)56-43-35-52(36-44-56)66(72)48-23-11-4-12-24-48/h1-44H
InChIKeyBXVBHMYKDCGUAK-UHFFFAOYSA-N
XLogP15.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.09
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
diphenylmethanone
CID 3102
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
CID 122429601
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone (CID 20665503) is [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(N(c2ccc(C(=O)c3ccccc3)cc2)c2c3ccccc3c(N(c3ccc(C(=O)c4ccccc4)cc3)c3ccc(C(=O)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone?
The InChIKey is BXVBHMYKDCGUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N2O4/c69-63(45-17-5-1-6-18-45)49-29-37-53(38-30-49)67(54-39-31-50(32-40-54)64(70)46-19-7-2-8-20-46)61-57-25-13-15-27-59(57)62(60-28-16-14-26-58(60)61)68(55-41-33-51(34-42-55)65(71)47-21-9-3-10-22-47)56-43-35-52(36-44-56)66(72)48-23-11-4-12-24-48/h1-44H.
What are the key properties of [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone?
[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone has a molecular weight of 929.09 g/mol, XLogP of 15.86, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone is sourced from PubChem (CID 20665503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).