2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine

C31H23N3O — CID 170265009

IUPAC2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine
SMILESCc1nc(C)nc(Cc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)n1
InChIInChI=1S/C31H23N3O/c1-19-32-20(2)34-30(33-19)18-21-15-16-23-22-9-3-4-10-24(22)31(27(23)17-21)25-11-5-7-13-28(25)35-29-14-8-6-12-26(29)31/h3-17H,18H2,1-2H3
InChIKeyMQFIODNINZFIJN-UHFFFAOYSA-N
MW453.55 g/mol
LogP6.55
Rot. Bonds2

About 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine

2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine (PubChem CID 170265009) has the molecular formula C31H23N3O and a molecular weight of 453.55 g/mol. Its IUPAC name is 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine
PubChem CID170265009
Molecular FormulaC31H23N3O
Molecular Weight453.55 g/mol
Exact Mass453.18
IUPAC Name2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine
SMILESCc1nc(C)nc(Cc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)n1
InChIInChI=1S/C31H23N3O/c1-19-32-20(2)34-30(33-19)18-21-15-16-23-22-9-3-4-10-24(22)31(27(23)17-21)25-11-5-7-13-28(25)35-29-14-8-6-12-26(29)31/h3-17H,18H2,1-2H3
InChIKeyMQFIODNINZFIJN-UHFFFAOYSA-N
XLogP6.55
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2'-benzylspiro[fluorene-9,9'-xanthene]
CID 155763670
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-[[2,7'-bis(diethylaminomethyl)-9,9'-spirobi[fluorene]-2'-yl]methyl]-N-ethylethanamine
CID 122543015
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 174284982
2-(2,3,4,5,6-pentadeuteriophenyl)-4-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-6-(2,3,4,6-tetradeuterio-5-methylphenyl)-1,3,5-triazine
CID 158924919

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine (CID 170265009) is 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine is Cc1nc(C)nc(Cc2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2ccccc2-3)n1.
What is the InChIKey of 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine?
The InChIKey is MQFIODNINZFIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3O/c1-19-32-20(2)34-30(33-19)18-21-15-16-23-22-9-3-4-10-24(22)31(27(23)17-21)25-11-5-7-13-28(25)35-29-14-8-6-12-26(29)31/h3-17H,18H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine?
2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine has a molecular weight of 453.55 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(spiro[fluorene-9,9'-xanthene]-2-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 170265009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).