2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine

C37H26N2 — CID 129255138

IUPAC2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cnc(-c4cccc5c6ccccc6c6ccccc6c45)cn3)cc21
InChIInChI=1S/C37H26N2/c1-37(2)32-17-8-7-13-27(32)28-19-18-23(20-33(28)37)34-21-39-35(22-38-34)31-16-9-15-30-26-11-4-3-10-24(26)25-12-5-6-14-29(25)36(30)31/h3-22H,1-2H3
InChIKeyJHSAMAPDLACBLU-UHFFFAOYSA-N
MW498.63 g/mol
LogP9.58
Rot. Bonds2

About 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine

2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine (PubChem CID 129255138) has the molecular formula C37H26N2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine
PubChem CID129255138
Molecular FormulaC37H26N2
Molecular Weight498.63 g/mol
Exact Mass498.21
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cnc(-c4cccc5c6ccccc6c6ccccc6c45)cn3)cc21
InChIInChI=1S/C37H26N2/c1-37(2)32-17-8-7-13-27(32)28-19-18-23(20-33(28)37)34-21-39-35(22-38-34)31-16-9-15-30-26-11-4-3-10-24(26)25-12-5-6-14-29(25)36(30)31/h3-22H,1-2H3
InChIKeyJHSAMAPDLACBLU-UHFFFAOYSA-N
XLogP9.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 59.58
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

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
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59318996
2-[10-(9,9-dimethylfluoren-2-yl)triphenylen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138600144
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
4-[12-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-2,6-diphenylpyrimidine
CID 138600013
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
CID 138599907
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736
2,6-bis(9,9-dimethylfluoren-3-yl)spiro[fluorene-9,19'-pentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene]
CID 123740748
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine (CID 129255138) is 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine is CC1(C)c2ccccc2-c2ccc(-c3cnc(-c4cccc5c6ccccc6c6ccccc6c45)cn3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine?
The InChIKey is JHSAMAPDLACBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2/c1-37(2)32-17-8-7-13-27(32)28-19-18-23(20-33(28)37)34-21-39-35(22-38-34)31-16-9-15-30-26-11-4-3-10-24(26)25-12-5-6-14-29(25)36(30)31/h3-22H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine?
2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine has a molecular weight of 498.63 g/mol, XLogP of 9.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-5-triphenylen-1-ylpyrazine is sourced from PubChem (CID 129255138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).