2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine

C27H24N2 — CID 58461083

IUPAC2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine
SMILESCc1cnc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2)c(C)n1
InChIInChI=1S/C27H24N2/c1-17-16-28-26(18(2)29-17)21-9-7-8-19(14-21)20-12-13-25-23(15-20)22-10-5-6-11-24(22)27(25,3)4/h5-16H,1-4H3
InChIKeyADGYWGQVPMXCTM-UHFFFAOYSA-N
MW376.50 g/mol
LogP6.73
Rot. Bonds2

About 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine (PubChem CID 58461083) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine
PubChem CID58461083
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine
SMILESCc1cnc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2)c(C)n1
InChIInChI=1S/C27H24N2/c1-17-16-28-26(18(2)29-17)21-9-7-8-19(14-21)20-12-13-25-23(15-20)22-10-5-6-11-24(22)27(25,3)4/h5-16H,1-4H3
InChIKeyADGYWGQVPMXCTM-UHFFFAOYSA-N
XLogP6.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134
4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine
CID 139516717

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine (CID 58461083) is 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine is Cc1cnc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2)c(C)n1.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine?
The InChIKey is ADGYWGQVPMXCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2/c1-17-16-28-26(18(2)29-17)21-9-7-8-19(14-21)20-12-13-25-23(15-20)22-10-5-6-11-24(22)27(25,3)4/h5-16H,1-4H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine?
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine has a molecular weight of 376.50 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-dimethylpyrazine is sourced from PubChem (CID 58461083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).