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

C45H30N4O — CID 130379635

IUPAC2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine
SMILESC1=C(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)NCC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=C1
InChIInChI=1S/C45H30N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-39(46-28-32)31-24-26-41-38(27-31)45(37-21-11-12-22-40(37)50-41)35-19-9-7-17-33(35)34-18-8-10-20-36(34)45/h1-27,46H,28H2
InChIKeyZPJDZSYMRXIOLK-UHFFFAOYSA-N
MW642.76 g/mol
LogP9.70
Rot. Bonds4

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

2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine (PubChem CID 130379635) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine
PubChem CID130379635
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine
SMILESC1=C(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)NCC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=C1
InChIInChI=1S/C45H30N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-39(46-28-32)31-24-26-41-38(27-31)45(37-21-11-12-22-40(37)50-41)35-19-9-7-17-33(35)34-18-8-10-20-36(34)45/h1-27,46H,28H2
InChIKeyZPJDZSYMRXIOLK-UHFFFAOYSA-N
XLogP9.70
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 59.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]-1,3,5-triazine
CID 146343033
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine (CID 130379635) is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine is C1=C(c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3-c3ccccc32)NCC(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)=C1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine?
The InChIKey is ZPJDZSYMRXIOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-3-13-29(14-4-1)42-47-43(30-15-5-2-6-16-30)49-44(48-42)32-23-25-39(46-28-32)31-24-26-41-38(27-31)45(37-21-11-12-22-40(37)50-41)35-19-9-7-17-33(35)34-18-8-10-20-36(34)45/h1-27,46H,28H2.
What are the key properties of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine?
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine has a molecular weight of 642.76 g/mol, XLogP of 9.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,2-dihydropyridin-3-yl)-1,3,5-triazine is sourced from PubChem (CID 130379635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).