2-phenanthren-1-ylfluoren-9-one

C27H16O — CID 90732038

IUPAC2-phenanthren-1-ylfluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C27H16O/c28-27-25-9-4-3-8-22(25)24-15-13-18(16-26(24)27)20-10-5-11-21-19-7-2-1-6-17(19)12-14-23(20)21/h1-16H
InChIKeyJVLTTYQEAAHSGK-UHFFFAOYSA-N
MW356.42 g/mol
LogP6.87
Rot. Bonds1

About 2-phenanthren-1-ylfluoren-9-one

2-phenanthren-1-ylfluoren-9-one (PubChem CID 90732038) has the molecular formula C27H16O and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-phenanthren-1-ylfluoren-9-one.

Molecular Properties

Compound Name2-phenanthren-1-ylfluoren-9-one
PubChem CID90732038
Molecular FormulaC27H16O
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name2-phenanthren-1-ylfluoren-9-one
SMILESO=C1c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc21
InChIInChI=1S/C27H16O/c28-27-25-9-4-3-8-22(25)24-15-13-18(16-26(24)27)20-10-5-11-21-19-7-2-1-6-17(19)12-14-23(20)21/h1-16H
InChIKeyJVLTTYQEAAHSGK-UHFFFAOYSA-N
XLogP6.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-dinaphthalen-1-ylfluoren-9-one
CID 146504296
2-[5-(9,10-dioxophenanthren-2-yl)naphthalen-1-yl]phenanthrene-9,10-dione
CID 58300937
2,6-di(anthracen-1-yl)anthracene-9,10-dione
CID 174779139
benzo[a]tetracene-8,13-dione
CID 628034
1-[2-(2-naphthalen-1-yl-5-pyren-1-ylphenyl)phenyl]pyrene
CID 169303134
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
1-picen-2-ylpicene
CID 173311295
2-naphthalen-1-yl-7-(4-phenylphenyl)phenanthrene
CID 59638748
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
CID 123939461

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-1-ylfluoren-9-one?
The IUPAC name of 2-phenanthren-1-ylfluoren-9-one (CID 90732038) is 2-phenanthren-1-ylfluoren-9-one.
What is the SMILES notation for 2-phenanthren-1-ylfluoren-9-one?
The canonical SMILES for 2-phenanthren-1-ylfluoren-9-one is O=C1c2ccccc2-c2ccc(-c3cccc4c3ccc3ccccc34)cc21.
What is the InChIKey of 2-phenanthren-1-ylfluoren-9-one?
The InChIKey is JVLTTYQEAAHSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O/c28-27-25-9-4-3-8-22(25)24-15-13-18(16-26(24)27)20-10-5-11-21-19-7-2-1-6-17(19)12-14-23(20)21/h1-16H.
What are the key properties of 2-phenanthren-1-ylfluoren-9-one?
2-phenanthren-1-ylfluoren-9-one has a molecular weight of 356.42 g/mol, XLogP of 6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-1-ylfluoren-9-one is sourced from PubChem (CID 90732038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).