2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline

C31H22N4 — CID 134167303

IUPAC2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6cnccn6)nc5c4n3)cc21
InChIInChI=1S/C31H22N4/c1-31(2)24-6-4-3-5-22(24)23-12-9-21(17-25(23)31)26-13-10-19-7-8-20-11-14-27(28-18-32-15-16-33-28)35-30(20)29(19)34-26/h3-18H,1-2H3
InChIKeyLRNDQJLKYHDFHB-UHFFFAOYSA-N
MW450.55 g/mol
LogP7.21
Rot. Bonds2

About 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline

2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline (PubChem CID 134167303) has the molecular formula C31H22N4 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
PubChem CID134167303
Molecular FormulaC31H22N4
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6cnccn6)nc5c4n3)cc21
InChIInChI=1S/C31H22N4/c1-31(2)24-6-4-3-5-22(24)23-12-9-21(17-25(23)31)26-13-10-19-7-8-20-11-14-27(28-18-32-15-16-33-28)35-30(20)29(19)34-26/h3-18H,1-2H3
InChIKeyLRNDQJLKYHDFHB-UHFFFAOYSA-N
XLogP7.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
2-(9,9-dimethylfluoren-2-yl)-9-(3-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167401
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;6,12-dinaphthalen-2-ylchrysene
CID 160803999
9-(9,9-dimethylfluoren-2-yl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574290
2,4-dibromo-9-(9,9-dimethylfluoren-2-yl)pyrido[3,2-h]quinazoline
CID 156577333
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-[4-phenyl-2-(3-pyridin-3-ylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167701
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-1,10-phenanthroline
CID 134167658
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
3-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 155105175

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline (CID 134167303) is 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc5ccc(-c6cnccn6)nc5c4n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline?
The InChIKey is LRNDQJLKYHDFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4/c1-31(2)24-6-4-3-5-22(24)23-12-9-21(17-25(23)31)26-13-10-19-7-8-20-11-14-27(28-18-32-15-16-33-28)35-30(20)29(19)34-26/h3-18H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline?
2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline has a molecular weight of 450.55 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 134167303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).