2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine

C46H31N3O — CID 155442764

IUPAC2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)C2C=C1
InChIInChI=1S/C46H31N3O/c1-3-14-30(15-4-1)43-47-44(31-16-5-2-6-17-31)49-45(48-43)34-19-13-18-32(28-34)33-26-27-40-42(29-33)50-41-25-12-11-24-39(41)46(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)46/h1-29,35,37H
InChIKeySASWVWDWPRMHJM-UHFFFAOYSA-N
MW641.77 g/mol
LogP10.82
Rot. Bonds4

About 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 155442764) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
PubChem CID155442764
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)C2C=C1
InChIInChI=1S/C46H31N3O/c1-3-14-30(15-4-1)43-47-44(31-16-5-2-6-17-31)49-45(48-43)34-19-13-18-32(28-34)33-26-27-40-42(29-33)50-41-25-12-11-24-39(41)46(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)46/h1-29,35,37H
InChIKeySASWVWDWPRMHJM-UHFFFAOYSA-N
XLogP10.82
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155442926
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
4-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-yl]naphthalene-1-carbonitrile
CID 163748208
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine
CID 155443179
2-phenyl-4-(2-phenylphenyl)-6-[4-[4-[3-[2-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155443124

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine (CID 155442764) is 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is C1=CC2c3ccccc3C3(c4ccccc4Oc4cc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)ccc43)C2C=C1.
What is the InChIKey of 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
The InChIKey is SASWVWDWPRMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-3-14-30(15-4-1)43-47-44(31-16-5-2-6-17-31)49-45(48-43)34-19-13-18-32(28-34)33-26-27-40-42(29-33)50-41-25-12-11-24-39(41)46(40)37-22-9-7-20-35(37)36-21-8-10-23-38(36)46/h1-29,35,37H.
What are the key properties of 2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 10.82, 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-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155442764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).