2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine

C46H31N3O — CID 174292900

IUPAC2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
SMILESC1=CC2c3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc3C3(c4ccccc4Oc4ccccc43)C2C=C1
InChIInChI=1S/C46H31N3O/c1-3-15-30(16-4-1)43-47-44(31-17-5-2-6-18-31)49-45(48-43)33-20-13-19-32(29-33)34-22-14-26-39-42(34)35-21-7-8-23-36(35)46(39)37-24-9-11-27-40(37)50-41-28-12-10-25-38(41)46/h1-29,35-36H
InChIKeyYYIRTWCAMSESIO-UHFFFAOYSA-N
MW641.77 g/mol
LogP10.82
Rot. Bonds4

About 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine (PubChem CID 174292900) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
PubChem CID174292900
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
SMILESC1=CC2c3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc3C3(c4ccccc4Oc4ccccc43)C2C=C1
InChIInChI=1S/C46H31N3O/c1-3-15-30(16-4-1)43-47-44(31-17-5-2-6-18-31)49-45(48-43)33-20-13-19-32(29-33)34-22-14-26-39-42(34)35-21-7-8-23-36(35)46(39)37-24-9-11-27-40(37)50-41-28-12-10-25-38(41)46/h1-29,35-36H
InChIKeyYYIRTWCAMSESIO-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-diphenyl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 153159558
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2-[4-(9',9'-dimethylspiro[4b,8a-dihydrofluorene-9,10'-anthracene]-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 142504685
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-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
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
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
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine (CID 174292900) is 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine is C1=CC2c3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cccc3C3(c4ccccc4Oc4ccccc43)C2C=C1.
What is the InChIKey of 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine?
The InChIKey is YYIRTWCAMSESIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-3-15-30(16-4-1)43-47-44(31-17-5-2-6-18-31)49-45(48-43)33-20-13-19-32(29-33)34-22-14-26-39-42(34)35-21-7-8-23-36(35)46(39)37-24-9-11-27-40(37)50-41-28-12-10-25-38(41)46/h1-29,35-36H.
What are the key properties of 2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-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[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174292900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).