8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole

C49H32N4O2 — CID 168832486

IUPAC8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2-c2c1ccc1nc(-c3ccccc3)oc21
InChIInChI=1S/C49H32N4O2/c1-49(2)38-26-27-40-44(55-48(50-40)31-18-10-5-11-19-31)41(38)36-25-24-32(28-39(36)49)33-20-12-21-34-35-22-13-23-37(43(35)54-42(33)34)47-52-45(29-14-6-3-7-15-29)51-46(53-47)30-16-8-4-9-17-30/h3-28H,1-2H3/i1D3,2D3
InChIKeyVUDNQKBBTSFRQA-WFGJKAKNSA-N
MW714.86 g/mol
LogP12.55
Rot. Bonds7

About 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole

8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole (PubChem CID 168832486) has the molecular formula C49H32N4O2 and a molecular weight of 714.86 g/mol. Its IUPAC name is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole
PubChem CID168832486
Molecular FormulaC49H32N4O2
Molecular Weight714.86 g/mol
Exact Mass714.29
IUPAC Name8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2-c2c1ccc1nc(-c3ccccc3)oc21
InChIInChI=1S/C49H32N4O2/c1-49(2)38-26-27-40-44(55-48(50-40)31-18-10-5-11-19-31)41(38)36-25-24-32(28-39(36)49)33-20-12-21-34-35-22-13-23-37(43(35)54-42(33)34)47-52-45(29-14-6-3-7-15-29)51-46(53-47)30-16-8-4-9-17-30/h3-28H,1-2H3/i1D3,2D3
InChIKeyVUDNQKBBTSFRQA-WFGJKAKNSA-N
XLogP12.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.86
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole with MolForge

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Related Compounds

17-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-5-phenyl-4-oxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647034
8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6,6-dimethyl-2-phenylindeno[2,1-g][1,3]benzoxazole
CID 168832454
2-dibenzofuran-4-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602751
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764192
9-[4-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764324
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
9-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole?
The IUPAC name of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole (CID 168832486) is 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole?
The canonical SMILES for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2cc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)ccc2-c2c1ccc1nc(-c3ccccc3)oc21.
What is the InChIKey of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole?
The InChIKey is VUDNQKBBTSFRQA-WFGJKAKNSA-N. The full InChI is InChI=1S/C49H32N4O2/c1-49(2)38-26-27-40-44(55-48(50-40)31-18-10-5-11-19-31)41(38)36-25-24-32(28-39(36)49)33-20-12-21-34-35-22-13-23-37(43(35)54-42(33)34)47-52-45(29-14-6-3-7-15-29)51-46(53-47)30-16-8-4-9-17-30/h3-28H,1-2H3/i1D3,2D3.
What are the key properties of 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole?
8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole has a molecular weight of 714.86 g/mol, XLogP of 12.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-6,6-bis(trideuteriomethyl)indeno[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 168832486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).