2,7-dinaphthalen-2-ylxanthen-9-one

C33H20O2 — CID 89408633

IUPAC2,7-dinaphthalen-2-ylxanthen-9-one
SMILESO=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C33H20O2/c34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyFVDHKYJDIHNVEA-UHFFFAOYSA-N
MW448.52 g/mol
LogP8.59
Rot. Bonds2

About 2,7-dinaphthalen-2-ylxanthen-9-one

2,7-dinaphthalen-2-ylxanthen-9-one (PubChem CID 89408633) has the molecular formula C33H20O2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2,7-dinaphthalen-2-ylxanthen-9-one.

Molecular Properties

Compound Name2,7-dinaphthalen-2-ylxanthen-9-one
PubChem CID89408633
Molecular FormulaC33H20O2
Molecular Weight448.52 g/mol
Exact Mass448.15
IUPAC Name2,7-dinaphthalen-2-ylxanthen-9-one
SMILESO=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C33H20O2/c34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H
InChIKeyFVDHKYJDIHNVEA-UHFFFAOYSA-N
XLogP8.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,8-bis(6-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran;2,8-bis(6-phenylnaphthalen-2-yl)dibenzofuran;2,8-bis(7-phenylnaphthalen-2-yl)dibenzofuran;2-[7-(cyclodecapentaenyl)naphthalen-2-yl]-8-(7-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran
CID 158865776
2,10-di(pyren-2-yl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440775
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
3-naphthalen-2-yldibenzofuran
CID 68932481
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-methyl-7-phenylxanthen-9-one
CID 123326805
2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-(3-chloro-5-naphthalen-2-ylphenyl)dibenzofuran
CID 171585736
2,4-dinaphthalen-2-yl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616855
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-phenyl-8-(7-triphenylen-2-ylnaphthalen-2-yl)dibenzofuran
CID 58569708
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907

Frequently Asked Questions

What is the IUPAC name of 2,7-dinaphthalen-2-ylxanthen-9-one?
The IUPAC name of 2,7-dinaphthalen-2-ylxanthen-9-one (CID 89408633) is 2,7-dinaphthalen-2-ylxanthen-9-one.
What is the SMILES notation for 2,7-dinaphthalen-2-ylxanthen-9-one?
The canonical SMILES for 2,7-dinaphthalen-2-ylxanthen-9-one is O=c1c2cc(-c3ccc4ccccc4c3)ccc2oc2ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of 2,7-dinaphthalen-2-ylxanthen-9-one?
The InChIKey is FVDHKYJDIHNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20O2/c34-33-29-19-27(25-11-9-21-5-1-3-7-23(21)17-25)13-15-31(29)35-32-16-14-28(20-30(32)33)26-12-10-22-6-2-4-8-24(22)18-26/h1-20H.
What are the key properties of 2,7-dinaphthalen-2-ylxanthen-9-one?
2,7-dinaphthalen-2-ylxanthen-9-one has a molecular weight of 448.52 g/mol, XLogP of 8.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dinaphthalen-2-ylxanthen-9-one is sourced from PubChem (CID 89408633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).