2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

C48H31N3O3 — CID 165382201

IUPAC2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc34)ccc21
InChIInChI=1S/C48H31N3O3/c1-48(2)37-16-7-9-18-40(37)53-43-25-29(21-24-38(43)48)32-14-10-15-36-35-23-20-31(27-42(35)54-44(32)36)47-50-45(28-11-4-3-5-12-28)49-46(51-47)30-19-22-34-33-13-6-8-17-39(33)52-41(34)26-30/h3-27H,1-2H3
InChIKeyFCLZCQRAHQGUIL-UHFFFAOYSA-N
MW697.79 g/mol
LogP12.77
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (PubChem CID 165382201) has the molecular formula C48H31N3O3 and a molecular weight of 697.79 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
PubChem CID165382201
Molecular FormulaC48H31N3O3
Molecular Weight697.79 g/mol
Exact Mass697.24
IUPAC Name2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc34)ccc21
InChIInChI=1S/C48H31N3O3/c1-48(2)37-16-7-9-18-40(37)53-43-25-29(21-24-38(43)48)32-14-10-15-36-35-23-20-31(27-42(35)54-44(32)36)47-50-45(28-11-4-3-5-12-28)49-46(51-47)30-19-22-34-33-13-6-8-17-39(33)52-41(34)26-30/h3-27H,1-2H3
InChIKeyFCLZCQRAHQGUIL-UHFFFAOYSA-N
XLogP12.77
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.79
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 165382217
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-dibenzofuran-3-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146431709
2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575353
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
4-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)-2,6-diphenylpyrimidine
CID 126729223

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine (CID 165382201) is 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2Oc2cc(-c3cccc4c3oc3cc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc34)ccc21.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is FCLZCQRAHQGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O3/c1-48(2)37-16-7-9-18-40(37)53-43-25-29(21-24-38(43)48)32-14-10-15-36-35-23-20-31(27-42(35)54-44(32)36)47-50-45(28-11-4-3-5-12-28)49-46(51-47)30-19-22-34-33-13-6-8-17-39(33)52-41(34)26-30/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 697.79 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165382201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).