2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole

C40H27NO2 — CID 67888519

IUPAC2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21
InChIInChI=1S/C40H27NO2/c1-40(2)33-14-5-3-9-29(33)30-22-21-26(23-34(30)40)28-12-8-15-35-38(28)43-39(41-35)25-19-17-24(18-20-25)27-11-7-13-32-31-10-4-6-16-36(31)42-37(27)32/h3-23H,1-2H3
InChIKeyYNUGFYWBEXTZMH-UHFFFAOYSA-N
MW553.66 g/mol
LogP11.03
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole (PubChem CID 67888519) has the molecular formula C40H27NO2 and a molecular weight of 553.66 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
PubChem CID67888519
Molecular FormulaC40H27NO2
Molecular Weight553.66 g/mol
Exact Mass553.20
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21
InChIInChI=1S/C40H27NO2/c1-40(2)33-14-5-3-9-29(33)30-22-21-26(23-34(30)40)28-12-8-15-35-38(28)43-39(41-35)25-19-17-24(18-20-25)27-11-7-13-32-31-10-4-6-16-36(31)42-37(27)32/h3-23H,1-2H3
InChIKeyYNUGFYWBEXTZMH-UHFFFAOYSA-N
XLogP11.03
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
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-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 67888489
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]-1,3-benzoxazole;2-[4-[2,6-bis(9,9-dimethylfluoren-2-yl)benzo[h]quinolin-4-yl]phenyl]phenanthro[9,10-d][1,3]oxazole
CID 161460289
2-dibenzofuran-4-yl-4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazine
CID 130232493
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole (CID 67888519) is 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The InChIKey is YNUGFYWBEXTZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO2/c1-40(2)33-14-5-3-9-29(33)30-22-21-26(23-34(30)40)28-12-8-15-35-38(28)43-39(41-35)25-19-17-24(18-20-25)27-11-7-13-32-31-10-4-6-16-36(31)42-37(27)32/h3-23H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole has a molecular weight of 553.66 g/mol, XLogP of 11.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 67888519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).