2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

C50H29NO2 — CID 67888522

IUPAC2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21
InChIInChI=1S/C50H29NO2/c1-5-18-41-35(11-1)36-12-2-6-19-42(36)50(41)43-20-7-3-13-37(43)38-28-27-32(29-44(38)50)34-16-10-21-45-48(34)53-49(51-45)31-25-23-30(24-26-31)33-15-9-17-40-39-14-4-8-22-46(39)52-47(33)40/h1-29H
InChIKeyJULGHHSJVCVSGC-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.07
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (PubChem CID 67888522) has the molecular formula C50H29NO2 and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
PubChem CID67888522
Molecular FormulaC50H29NO2
Molecular Weight675.79 g/mol
Exact Mass675.22
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21
InChIInChI=1S/C50H29NO2/c1-5-18-41-35(11-1)36-12-2-6-19-42(36)50(41)43-20-7-3-13-37(43)38-28-27-32(29-44(38)50)34-16-10-21-45-48(34)53-49(51-45)31-25-23-30(24-26-31)33-15-9-17-40-39-14-4-8-22-46(39)52-47(33)40/h1-29H
InChIKeyJULGHHSJVCVSGC-UHFFFAOYSA-N
XLogP13.07
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
21-(3-dibenzofuran-4-ylphenyl)spiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 130394137
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368787
2-dibenzofuran-4-yl-4-(3-phenanthren-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 169278943
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (CID 67888522) is 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)oc34)cc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The InChIKey is JULGHHSJVCVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NO2/c1-5-18-41-35(11-1)36-12-2-6-19-42(36)50(41)43-20-7-3-13-37(43)38-28-27-32(29-44(38)50)34-16-10-21-45-48(34)53-49(51-45)31-25-23-30(24-26-31)33-15-9-17-40-39-14-4-8-22-46(39)52-47(33)40/h1-29H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole has a molecular weight of 675.79 g/mol, XLogP of 13.07, 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'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 67888522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).