3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine

C49H34N2 — CID 129174060

IUPAC3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cnc3-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21
InChIInChI=1S/C49H34N2/c1-49(2)44-22-11-10-21-41(44)42-26-24-35(29-45(42)49)48-47(50-30-46(51-48)31-13-4-3-5-14-31)34-16-12-15-32(27-34)33-23-25-40-38-19-7-6-17-36(38)37-18-8-9-20-39(37)43(40)28-33/h3-30H,1-2H3
InChIKeyKNGQELMUIRDVAM-UHFFFAOYSA-N
MW650.83 g/mol
LogP12.91
Rot. Bonds4

About 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine

3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine (PubChem CID 129174060) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine
PubChem CID129174060
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cnc3-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21
InChIInChI=1S/C49H34N2/c1-49(2)44-22-11-10-21-41(44)42-26-24-35(29-45(42)49)48-47(50-30-46(51-48)31-13-4-3-5-14-31)34-16-12-15-32(27-34)33-23-25-40-38-19-7-6-17-36(38)37-18-8-9-20-39(37)43(40)28-33/h3-30H,1-2H3
InChIKeyKNGQELMUIRDVAM-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 512.91
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)-3-phenyl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 163218384
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
2-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-4,6-diphenylpyridine
CID 138599907
2-[7-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]naphthalen-2-yl]triphenylene
CID 58569633
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
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)-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393298
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
3-(9,9-dimethylfluoren-2-yl)-6,12-dinaphthalen-1-ylchrysene
CID 58511736

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine (CID 129174060) is 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)cnc3-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine?
The InChIKey is KNGQELMUIRDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2/c1-49(2)44-22-11-10-21-41(44)42-26-24-35(29-45(42)49)48-47(50-30-46(51-48)31-13-4-3-5-14-31)34-16-12-15-32(27-34)33-23-25-40-38-19-7-6-17-36(38)37-18-8-9-20-39(37)43(40)28-33/h3-30H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine?
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine has a molecular weight of 650.83 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-(3-triphenylen-2-ylphenyl)pyrazine is sourced from PubChem (CID 129174060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).