diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid

C27H18O9 — CID 70582995

IUPACdiphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H8O8.C13H10O/c15-11(16)7-5-3-1-2-4-6(5)8(12(17)18)10(14(21)22)9(7)13(19)20;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-10H
InChIKeyAKBCVLAEWJOLFT-UHFFFAOYSA-N
MW486.43 g/mol
LogP4.55
Rot. Bonds6

About diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid

diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid (PubChem CID 70582995) has the molecular formula C27H18O9 and a molecular weight of 486.43 g/mol. Its IUPAC name is diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Namediphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
PubChem CID70582995
Molecular FormulaC27H18O9
Molecular Weight486.43 g/mol
Exact Mass486.10
IUPAC Namediphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H8O8.C13H10O/c15-11(16)7-5-3-1-2-4-6(5)8(12(17)18)10(14(21)22)9(7)13(19)20;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-10H
InChIKeyAKBCVLAEWJOLFT-UHFFFAOYSA-N
XLogP4.55
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid (CID 70582995) is diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid is O=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid?
The InChIKey is AKBCVLAEWJOLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O8.C13H10O/c15-11(16)7-5-3-1-2-4-6(5)8(12(17)18)10(14(21)22)9(7)13(19)20;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1-10H.
What are the key properties of diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid?
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid has a molecular weight of 486.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 70582995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).