7,14-diphenyl-7,14-dihydropentacene-5,12-dione

C34H22O2 — CID 23522309

IUPAC7,14-diphenyl-7,14-dihydropentacene-5,12-dione
SMILESO=C1c2ccccc2C(c2ccccc2)c2cc3c(cc21)C(c1ccccc1)c1ccccc1C3=O
InChIInChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,31-32H
InChIKeyRKMPPMFRQRLJDF-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.14
Rot. Bonds2

About 7,14-diphenyl-7,14-dihydropentacene-5,12-dione

7,14-diphenyl-7,14-dihydropentacene-5,12-dione (PubChem CID 23522309) has the molecular formula C34H22O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 7,14-diphenyl-7,14-dihydropentacene-5,12-dione.

Molecular Properties

Compound Name7,14-diphenyl-7,14-dihydropentacene-5,12-dione
PubChem CID23522309
Molecular FormulaC34H22O2
Molecular Weight462.55 g/mol
Exact Mass462.16
IUPAC Name7,14-diphenyl-7,14-dihydropentacene-5,12-dione
SMILESO=C1c2ccccc2C(c2ccccc2)c2cc3c(cc21)C(c1ccccc1)c1ccccc1C3=O
InChIInChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,31-32H
InChIKeyRKMPPMFRQRLJDF-UHFFFAOYSA-N
XLogP7.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,14-diphenyl-7,14-dihydropentacene-5,12-dione?
The IUPAC name of 7,14-diphenyl-7,14-dihydropentacene-5,12-dione (CID 23522309) is 7,14-diphenyl-7,14-dihydropentacene-5,12-dione.
What is the SMILES notation for 7,14-diphenyl-7,14-dihydropentacene-5,12-dione?
The canonical SMILES for 7,14-diphenyl-7,14-dihydropentacene-5,12-dione is O=C1c2ccccc2C(c2ccccc2)c2cc3c(cc21)C(c1ccccc1)c1ccccc1C3=O.
What is the InChIKey of 7,14-diphenyl-7,14-dihydropentacene-5,12-dione?
The InChIKey is RKMPPMFRQRLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O2/c35-33-25-17-9-7-15-23(25)31(21-11-3-1-4-12-21)27-19-30-28(20-29(27)33)32(22-13-5-2-6-14-22)24-16-8-10-18-26(24)34(30)36/h1-20,31-32H.
What are the key properties of 7,14-diphenyl-7,14-dihydropentacene-5,12-dione?
7,14-diphenyl-7,14-dihydropentacene-5,12-dione has a molecular weight of 462.55 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-diphenyl-7,14-dihydropentacene-5,12-dione is sourced from PubChem (CID 23522309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).