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

C30H21ClFN3 — CID 162486327

IUPAC2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(Cl)c4)n3)cc21
InChIInChI=1S/C30H21ClFN3/c1-30(2)23-11-7-6-10-21(23)22-14-12-19(16-24(22)30)28-33-27(18-8-4-3-5-9-18)34-29(35-28)20-13-15-26(32)25(31)17-20/h3-17H,1-2H3
InChIKeyGEDMTYGWVGQFGE-UHFFFAOYSA-N
MW477.97 g/mol
LogP7.97
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 162486327) has the molecular formula C30H21ClFN3 and a molecular weight of 477.97 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID162486327
Molecular FormulaC30H21ClFN3
Molecular Weight477.97 g/mol
Exact Mass477.14
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(Cl)c4)n3)cc21
InChIInChI=1S/C30H21ClFN3/c1-30(2)23-11-7-6-10-21(23)22-14-12-19(16-24(22)30)28-33-27(18-8-4-3-5-9-18)34-29(35-28)20-13-15-26(32)25(31)17-20/h3-17H,1-2H3
InChIKeyGEDMTYGWVGQFGE-UHFFFAOYSA-N
XLogP7.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216
bis(2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine);2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161026217
2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 175634418

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine (CID 162486327) is 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(F)c(Cl)c4)n3)cc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is GEDMTYGWVGQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21ClFN3/c1-30(2)23-11-7-6-10-21(23)22-14-12-19(16-24(22)30)28-33-27(18-8-4-3-5-9-18)34-29(35-28)20-13-15-26(32)25(31)17-20/h3-17H,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine?
2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 477.97 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 162486327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).