anthracene-9,10-dione;bis(N-phenylaniline)

C38H30N2O2 — CID 174974438

IUPACanthracene-9,10-dione;bis(N-phenylaniline)
SMILESO=C1c2ccccc2C(=O)c2ccccc21.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H8O2.2C12H11N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;2*1-10,13H
InChIKeyVOIIIRCOGAAXNO-UHFFFAOYSA-N
MW546.67 g/mol
LogP9.32
Rot. Bonds4

About anthracene-9,10-dione;bis(N-phenylaniline)

anthracene-9,10-dione;bis(N-phenylaniline) (PubChem CID 174974438) has the molecular formula C38H30N2O2 and a molecular weight of 546.67 g/mol. Its IUPAC name is anthracene-9,10-dione;bis(N-phenylaniline).

Molecular Properties

Compound Nameanthracene-9,10-dione;bis(N-phenylaniline)
PubChem CID174974438
Molecular FormulaC38H30N2O2
Molecular Weight546.67 g/mol
Exact Mass546.23
IUPAC Nameanthracene-9,10-dione;bis(N-phenylaniline)
SMILESO=C1c2ccccc2C(=O)c2ccccc21.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H8O2.2C12H11N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;2*1-10,13H
InChIKeyVOIIIRCOGAAXNO-UHFFFAOYSA-N
XLogP9.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

anthracene-9,10-dione;N-phenylhydroxylamine
CID 162241472
11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione
CID 142661491
azane;N-phenylaniline
CID 67074378
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
N-phenylaniline;sulfuric acid
CID 11486
4-anilino-10-methylideneanthracen-9-one
CID 56629150
2-(3-anilinoanilino)naphthalene-1,4-dione
CID 35206766
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413
dibismuth;N-phenylaniline;trisulfate
CID 174856272

Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;bis(N-phenylaniline)?
The IUPAC name of anthracene-9,10-dione;bis(N-phenylaniline) (CID 174974438) is anthracene-9,10-dione;bis(N-phenylaniline).
What is the SMILES notation for anthracene-9,10-dione;bis(N-phenylaniline)?
The canonical SMILES for anthracene-9,10-dione;bis(N-phenylaniline) is O=C1c2ccccc2C(=O)c2ccccc21.c1ccc(Nc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of anthracene-9,10-dione;bis(N-phenylaniline)?
The InChIKey is VOIIIRCOGAAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.2C12H11N/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8H;2*1-10,13H.
What are the key properties of anthracene-9,10-dione;bis(N-phenylaniline)?
anthracene-9,10-dione;bis(N-phenylaniline) has a molecular weight of 546.67 g/mol, XLogP of 9.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;bis(N-phenylaniline) is sourced from PubChem (CID 174974438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).