3-(9H-fluoren-9-yl)-1,10-phenanthroline

C25H16N2 — CID 101126567

IUPAC3-(9H-fluoren-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)-c1ccccc1C2c1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C25H16N2/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)18-14-17-12-11-16-6-5-13-26-24(16)25(17)27-15-18/h1-15,23H
InChIKeyUEHABWDKWVHBSP-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.94
Rot. Bonds1

About 3-(9H-fluoren-9-yl)-1,10-phenanthroline

3-(9H-fluoren-9-yl)-1,10-phenanthroline (PubChem CID 101126567) has the molecular formula C25H16N2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1,10-phenanthroline
PubChem CID101126567
Molecular FormulaC25H16N2
Molecular Weight344.42 g/mol
Exact Mass344.13
IUPAC Name3-(9H-fluoren-9-yl)-1,10-phenanthroline
SMILESc1ccc2c(c1)-c1ccccc1C2c1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C25H16N2/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)18-14-17-12-11-16-6-5-13-26-24(16)25(17)27-15-18/h1-15,23H
InChIKeyUEHABWDKWVHBSP-UHFFFAOYSA-N
XLogP5.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylsulfanyl-1,10-phenanthroline
CID 167351209
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
3-[3-(1,10-phenanthrolin-3-yl)anthracen-2-yl]-1,10-phenanthroline
CID 170897527
3-ethenyl-1,10-phenanthroline
CID 58813469

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-1,10-phenanthroline?
The IUPAC name of 3-(9H-fluoren-9-yl)-1,10-phenanthroline (CID 101126567) is 3-(9H-fluoren-9-yl)-1,10-phenanthroline.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1,10-phenanthroline?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1,10-phenanthroline is c1ccc2c(c1)-c1ccccc1C2c1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1,10-phenanthroline?
The InChIKey is UEHABWDKWVHBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)18-14-17-12-11-16-6-5-13-26-24(16)25(17)27-15-18/h1-15,23H.
What are the key properties of 3-(9H-fluoren-9-yl)-1,10-phenanthroline?
3-(9H-fluoren-9-yl)-1,10-phenanthroline has a molecular weight of 344.42 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-1,10-phenanthroline is sourced from PubChem (CID 101126567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).