2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline

C39H23N3 — CID 134167339

IUPAC2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
SMILESc1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)nc5c4n3)cc2)c1
InChIInChI=1S/C39H23N3/c1-2-7-30-29(6-1)32-8-3-9-33-31(18-19-34(30)37(32)33)36-21-17-27-15-14-26-16-20-35(41-38(26)39(27)42-36)25-12-10-24(11-13-25)28-5-4-22-40-23-28/h1-23H
InChIKeyUZYRZRRAKDSRGI-UHFFFAOYSA-N
MW533.63 g/mol
LogP9.98
Rot. Bonds3

About 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline

2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline (PubChem CID 134167339) has the molecular formula C39H23N3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
PubChem CID134167339
Molecular FormulaC39H23N3
Molecular Weight533.63 g/mol
Exact Mass533.19
IUPAC Name2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
SMILESc1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)nc5c4n3)cc2)c1
InChIInChI=1S/C39H23N3/c1-2-7-30-29(6-1)32-8-3-9-33-31(18-19-34(30)37(32)33)36-21-17-27-15-14-26-16-20-35(41-38(26)39(27)42-36)25-12-10-24(11-13-25)28-5-4-22-40-23-28/h1-23H
InChIKeyUZYRZRRAKDSRGI-UHFFFAOYSA-N
XLogP9.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,6-dipyridin-3-yl-4-pyridinyl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167395
2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
CID 134167459
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-fluoranthen-3-yl-1,10-phenanthroline
CID 134167418
2-(4,5-dihydropyren-1-yl)-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 163653713
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-[8-(2,6-diphenylpyrimidin-4-yl)fluoranthen-3-yl]-9-phenyl-1,10-phenanthroline
CID 134596753
2-[4-(4-fluoranthen-3-yl-6-phenylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 130264966
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975
2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
CID 134167800
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228

Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline (CID 134167339) is 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline is c1cncc(-c2ccc(-c3ccc4ccc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)nc5c4n3)cc2)c1.
What is the InChIKey of 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline?
The InChIKey is UZYRZRRAKDSRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3/c1-2-7-30-29(6-1)32-8-3-9-33-31(18-19-34(30)37(32)33)36-21-17-27-15-14-26-16-20-35(41-38(26)39(27)42-36)25-12-10-24(11-13-25)28-5-4-22-40-23-28/h1-23H.
What are the key properties of 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline?
2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline has a molecular weight of 533.63 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-9-(4-pyridin-3-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134167339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).