2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

C26H22ClN3 — CID 125480095

IUPAC2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C26H22ClN3/c1-3-26(4-2)21-13-9-8-12-19(21)20-15-14-18(16-22(20)26)24-28-23(29-25(27)30-24)17-10-6-5-7-11-17/h5-16H,3-4H2,1-2H3
InChIKeyVTDGOVSQNKJRPY-UHFFFAOYSA-N
MW411.94 g/mol
LogP6.95
Rot. Bonds4

About 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine

2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 125480095) has the molecular formula C26H22ClN3 and a molecular weight of 411.94 g/mol. Its IUPAC name is 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID125480095
Molecular FormulaC26H22ClN3
Molecular Weight411.94 g/mol
Exact Mass411.15
IUPAC Name2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C26H22ClN3/c1-3-26(4-2)21-13-9-8-12-19(21)20-15-14-18(16-22(20)26)24-28-23(29-25(27)30-24)17-10-6-5-7-11-17/h5-16H,3-4H2,1-2H3
InChIKeyVTDGOVSQNKJRPY-UHFFFAOYSA-N
XLogP6.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.94
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 125480095) is 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CCC1(CC)c2ccccc2-c2ccc(-c3nc(Cl)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is VTDGOVSQNKJRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3/c1-3-26(4-2)21-13-9-8-12-19(21)20-15-14-18(16-22(20)26)24-28-23(29-25(27)30-24)17-10-6-5-7-11-17/h5-16H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 411.94 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(9,9-diethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 125480095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).