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

C46H31N3O — CID 146388734

IUPAC2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H31N3O/c1-5-16-32(17-6-1)34-20-15-21-35(30-34)44-47-43(33-18-7-2-8-19-33)48-45(49-44)36-28-29-40-42(31-36)50-41-27-14-13-26-39(41)46(40,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-31H
InChIKeyCGWIFTIJHFJKGN-UHFFFAOYSA-N
MW641.77 g/mol
LogP11.03
Rot. Bonds6

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

2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146388734) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID146388734
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H31N3O/c1-5-16-32(17-6-1)34-20-15-21-35(30-34)44-47-43(33-18-7-2-8-19-33)48-45(49-44)36-28-29-40-42(31-36)50-41-27-14-13-26-39(41)46(40,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-31H
InChIKeyCGWIFTIJHFJKGN-UHFFFAOYSA-N
XLogP11.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
4-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163567648
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
2-[4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031328
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-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]benzonitrile
CID 166031504
2-[3-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenylpyridine
CID 146388732
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4-[4-[4-(9,9-diphenylxanthen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163439529
3-[4-[4-[3-(9,9-diphenylxanthen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 166031249
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
4-[4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 166031208

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 146388734) is 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is CGWIFTIJHFJKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-5-16-32(17-6-1)34-20-15-21-35(30-34)44-47-43(33-18-7-2-8-19-33)48-45(49-44)36-28-29-40-42(31-36)50-41-27-14-13-26-39(41)46(40,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-31H.
What are the key properties of 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146388734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).