2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C36H27N3O — CID 163752152

IUPAC2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21
InChIInChI=1S/C36H27N3O/c1-36(2)29-17-9-10-18-30(29)40-31-19-11-16-28(32(31)36)35-38-33(26-14-7-4-8-15-26)37-34(39-35)27-22-20-25(21-23-27)24-12-5-3-6-13-24/h3-23H,1-2H3
InChIKeyLQXJOPSSEKSXHA-UHFFFAOYSA-N
MW517.63 g/mol
LogP8.97
Rot. Bonds4

About 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163752152) has the molecular formula C36H27N3O and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163752152
Molecular FormulaC36H27N3O
Molecular Weight517.63 g/mol
Exact Mass517.22
IUPAC Name2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21
InChIInChI=1S/C36H27N3O/c1-36(2)29-17-9-10-18-30(29)40-31-19-11-16-28(32(31)36)35-38-33(26-14-7-4-8-15-26)37-34(39-35)27-22-20-25(21-23-27)24-12-5-3-6-13-24/h3-23H,1-2H3
InChIKeyLQXJOPSSEKSXHA-UHFFFAOYSA-N
XLogP8.97
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2-[3-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-1-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146494826
9,9-dimethyl-2-[2-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]xanthene-1-carbonitrile
CID 163897930
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297678
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylxanthene
CID 177127970
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163787598
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163752152) is 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2Oc2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21.
What is the InChIKey of 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LQXJOPSSEKSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O/c1-36(2)29-17-9-10-18-30(29)40-31-19-11-16-28(32(31)36)35-38-33(26-14-7-4-8-15-26)37-34(39-35)27-22-20-25(21-23-27)24-12-5-3-6-13-24/h3-23H,1-2H3.
What are the key properties of 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 517.63 g/mol, XLogP of 8.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylxanthen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163752152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).