2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine

C54H33N3O — CID 168854945

IUPAC2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c(c7ccccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc4c3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)51-55-52(35-17-5-2-6-18-35)57-53(56-51)39-30-28-36-31-38(29-27-37(36)32-39)43-33-44-41-20-9-10-22-45(41)54(50(44)42-21-8-7-19-40(42)43)46-23-11-13-25-48(46)58-49-26-14-12-24-47(49)54/h1-33H
InChIKeyZJPQESWKARTBBL-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.31
Rot. Bonds4

About 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine

2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 168854945) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID168854945
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c(c7ccccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc4c3)n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-15-34(16-4-1)51-55-52(35-17-5-2-6-18-35)57-53(56-51)39-30-28-36-31-38(29-27-37(36)32-39)43-33-44-41-20-9-10-22-45(41)54(50(44)42-21-8-7-19-40(42)43)46-23-11-13-25-48(46)58-49-26-14-12-24-47(49)54/h1-33H
InChIKeyZJPQESWKARTBBL-UHFFFAOYSA-N
XLogP13.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-6-[3-(5-phenylspiro[benzo[a]fluorene-11,9'-xanthene]-4'-yl)phenyl]-1,3,5-triazine
CID 168855114
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
CID 163941114
2,4-diphenyl-6-spiro[benzo[b]fluorene-11,9'-xanthene]-8-yl-1,3,5-triazine
CID 163915981
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619
5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[indeno[1,2-c]isoquinoline-11,9'-xanthene]
CID 168854982
2-naphthalen-2-yl-4-[2-[3-[4-[4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 137391672
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
6-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]spiro[indeno[1,2-c]quinoline-11,9'-xanthene]
CID 168855069
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297786

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine (CID 168854945) is 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5cc6c(c7ccccc57)C5(c7ccccc7Oc7ccccc75)c5ccccc5-6)ccc4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is ZJPQESWKARTBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-15-34(16-4-1)51-55-52(35-17-5-2-6-18-35)57-53(56-51)39-30-28-36-31-38(29-27-37(36)32-39)43-33-44-41-20-9-10-22-45(41)54(50(44)42-21-8-7-19-40(42)43)46-23-11-13-25-48(46)58-49-26-14-12-24-47(49)54/h1-33H.
What are the key properties of 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 739.88 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[benzo[a]fluorene-11,9'-xanthene]-5-ylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 168854945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).