2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine

C40H33N3 — CID 126543875

IUPAC2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C40H33N3/c1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h6-23H,1-5H3
InChIKeyNBGXXTUDDNGXKT-UHFFFAOYSA-N
MW555.73 g/mol
LogP9.79
Rot. Bonds3

About 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine

2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine (PubChem CID 126543875) has the molecular formula C40H33N3 and a molecular weight of 555.73 g/mol. Its IUPAC name is 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
PubChem CID126543875
Molecular FormulaC40H33N3
Molecular Weight555.73 g/mol
Exact Mass555.27
IUPAC Name2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C40H33N3/c1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h6-23H,1-5H3
InChIKeyNBGXXTUDDNGXKT-UHFFFAOYSA-N
XLogP9.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.73
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-3-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166565386
2-(9,9-dimethylfluoren-4-yl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150402
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
2-(9,9-dimethylfluoren-4-yl)-4-(2-fluoro-4-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 174282209
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
2-(9,9-dimethylfluoren-2-yl)-4-(9,9-dimethylfluoren-4-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 170927879
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-(9,9-dimethylfluoren-2-yl)-4-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
CID 138617958

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine (CID 126543875) is 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4(C)C)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.
What is the InChIKey of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is NBGXXTUDDNGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3/c1-24-20-22-25(23-21-24)36-41-37(28-14-10-18-32-34(28)26-12-6-8-16-30(26)39(32,2)3)43-38(42-36)29-15-11-19-33-35(29)27-13-7-9-17-31(27)40(33,4)5/h6-23H,1-5H3.
What are the key properties of 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine?
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 555.73 g/mol, XLogP of 9.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 126543875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).