2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine

C40H27N3O — CID 146388535

IUPAC2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N3O/c1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)32-24-15-26-34-36(32)44-35-27-14-13-25-33(35)40(34,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyBREFSBIZTCGDOK-UHFFFAOYSA-N
MW565.68 g/mol
LogP9.36
Rot. Bonds5

About 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 146388535) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID146388535
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C40H27N3O/c1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)32-24-15-26-34-36(32)44-35-27-14-13-25-33(35)40(34,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H
InChIKeyBREFSBIZTCGDOK-UHFFFAOYSA-N
XLogP9.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazine
CID 155650366
4-[4-(9,9-diphenylxanthen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalene-1-carbonitrile
CID 166031257
4-[4-(9,9-diphenylxanthen-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 163506983
2-[4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031227
4-[4-[4-(9,9-diphenylxanthen-4-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031308
2-(9,9-diphenylxanthen-4-yl)-4-[9-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylxanthen-4-yl]-6-phenyl-1,3,5-triazine
CID 174297442
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
4-[4-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163736945
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-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl)benzonitrile
CID 155767812

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 146388535) is 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is BREFSBIZTCGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-5-16-28(17-6-1)37-41-38(29-18-7-2-8-19-29)43-39(42-37)32-24-15-26-34-36(32)44-35-27-14-13-25-33(35)40(34,30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-27H.
What are the key properties of 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 565.68 g/mol, XLogP of 9.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylxanthen-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146388535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).