10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one

C54H35NO5 — CID 174802496

IUPAC10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one
SMILESO=C1C=CC=C2C1=Cc1ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2Cc2ccccc21.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C14H8O2.C14H10O.C13H9NO.C13H8O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-8H;1-8H,9H2;1-8H,(H,14,15);1-8H
InChIKeyDPYCUTRYQLSMNP-UHFFFAOYSA-N
MW777.88 g/mol
LogP10.57
Rot. Bonds

About 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one

10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one (PubChem CID 174802496) has the molecular formula C54H35NO5 and a molecular weight of 777.88 g/mol. Its IUPAC name is 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one.

Molecular Properties

Compound Name10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one
PubChem CID174802496
Molecular FormulaC54H35NO5
Molecular Weight777.88 g/mol
Exact Mass777.25
IUPAC Name10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one
SMILESO=C1C=CC=C2C1=Cc1ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2Cc2ccccc21.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C14H8O2.C14H10O.C13H9NO.C13H8O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-8H;1-8H,9H2;1-8H,(H,14,15);1-8H
InChIKeyDPYCUTRYQLSMNP-UHFFFAOYSA-N
XLogP10.57
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.88
LogP ≤ 510.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 89328403
fluoren-1-one;1-phenylethanone
CID 121282266
5,6-dihydrobenzo[b]carbazol-11-one
CID 123961016
10H-anthracen-9-one;fluoren-9-one
CID 67642372
10H-acridin-9-one
CID 22753806
10H-acridin-9-one;ethane
CID 91525380
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CID 606622

Frequently Asked Questions

What is the IUPAC name of 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one?
The IUPAC name of 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one (CID 174802496) is 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one.
What is the SMILES notation for 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one?
The canonical SMILES for 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one is O=C1C=CC=C2C1=Cc1ccccc12.O=C1c2ccccc2C(=O)c2ccccc21.O=C1c2ccccc2Cc2ccccc21.O=c1c2ccccc2[nH]c2ccccc12.
What is the InChIKey of 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one?
The InChIKey is DPYCUTRYQLSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C14H10O.C13H9NO.C13H8O/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14;15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-8H;1-8H,9H2;1-8H,(H,14,15);1-8H.
What are the key properties of 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one?
10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one has a molecular weight of 777.88 g/mol, XLogP of 10.57, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-acridin-9-one;anthracene-9,10-dione;10H-anthracen-9-one;fluoren-1-one is sourced from PubChem (CID 174802496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).