2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine

C39H33N3 — CID 138617958

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2c(C)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)c(C)c1
InChIInChI=1S/C39H33N3/c1-24-18-20-29(26(3)22-24)35-25(2)12-11-16-32(35)38-41-36(27-13-7-6-8-14-27)40-37(42-38)28-19-21-31-30-15-9-10-17-33(30)39(4,5)34(31)23-28/h6-23H,1-5H3
InChIKeyZKDJMJOCGQLMBY-UHFFFAOYSA-N
MW543.71 g/mol
LogP9.77
Rot. Bonds4

About 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138617958) has the molecular formula C39H33N3 and a molecular weight of 543.71 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
PubChem CID138617958
Molecular FormulaC39H33N3
Molecular Weight543.71 g/mol
Exact Mass543.27
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2c(C)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)c(C)c1
InChIInChI=1S/C39H33N3/c1-24-18-20-29(26(3)22-24)35-25(2)12-11-16-32(35)38-41-36(27-13-7-6-8-14-27)40-37(42-38)28-19-21-31-30-15-9-10-17-33(30)39(4,5)34(31)23-28/h6-23H,1-5H3
InChIKeyZKDJMJOCGQLMBY-UHFFFAOYSA-N
XLogP9.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
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-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2,9,9-trimethyl-3-(2-methylphenyl)fluorene
CID 145324578
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
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-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine (CID 138617958) is 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine is Cc1ccc(-c2c(C)cccc2-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)c(C)c1.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is ZKDJMJOCGQLMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3/c1-24-18-20-29(26(3)22-24)35-25(2)12-11-16-32(35)38-41-36(27-13-7-6-8-14-27)40-37(42-38)28-19-21-31-30-15-9-10-17-33(30)39(4,5)34(31)23-28/h6-23H,1-5H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 543.71 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138617958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).