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

C32H27N3 — CID 58273805

IUPAC2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1
InChIInChI=1S/C32H27N3/c1-20-9-13-22(14-10-20)29-33-30(23-15-11-21(2)12-16-23)35-31(34-29)24-17-18-26-25-7-5-6-8-27(25)32(3,4)28(26)19-24/h5-19H,1-4H3
InChIKeyVJZLDMNQOJDYGM-UHFFFAOYSA-N
MW453.59 g/mol
LogP7.80
Rot. Bonds3

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

2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (PubChem CID 58273805) has the molecular formula C32H27N3 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
PubChem CID58273805
Molecular FormulaC32H27N3
Molecular Weight453.59 g/mol
Exact Mass453.22
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1
InChIInChI=1S/C32H27N3/c1-20-9-13-22(14-10-20)29-33-30(23-15-11-21(2)12-16-23)35-31(34-29)24-17-18-26-25-7-5-6-8-27(25)32(3,4)28(26)19-24/h5-19H,1-4H3
InChIKeyVJZLDMNQOJDYGM-UHFFFAOYSA-N
XLogP7.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
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-[2-(2,4-dimethylphenyl)-3-methylphenyl]-6-phenyl-1,3,5-triazine
CID 138617958
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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine (CID 58273805) is 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
The InChIKey is VJZLDMNQOJDYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3/c1-20-9-13-22(14-10-20)29-33-30(23-15-11-21(2)12-16-23)35-31(34-29)24-17-18-26-25-7-5-6-8-27(25)32(3,4)28(26)19-24/h5-19H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine has a molecular weight of 453.59 g/mol, XLogP of 7.80, 3 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)-4,6-bis(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 58273805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).