2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole

C55H39NO2 — CID 67888489

IUPAC2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21
InChIInChI=1S/C55H39NO2/c1-54(2)45-13-7-5-11-38(45)40-24-21-35(30-47(40)54)34-23-26-50-43(27-34)44-29-37(36-22-25-41-39-12-6-8-14-46(39)55(3,4)48(41)31-36)28-42(52(44)57-50)32-17-19-33(20-18-32)53-56-49-15-9-10-16-51(49)58-53/h5-31H,1-4H3
InChIKeyIWZSHQBONVQPRL-UHFFFAOYSA-N
MW745.92 g/mol
LogP15.01
Rot. Bonds4

About 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole

2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole (PubChem CID 67888489) has the molecular formula C55H39NO2 and a molecular weight of 745.92 g/mol. Its IUPAC name is 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
PubChem CID67888489
Molecular FormulaC55H39NO2
Molecular Weight745.92 g/mol
Exact Mass745.30
IUPAC Name2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21
InChIInChI=1S/C55H39NO2/c1-54(2)45-13-7-5-11-38(45)40-24-21-35(30-47(40)54)34-23-26-50-43(27-34)44-29-37(36-22-25-41-39-12-6-8-14-46(39)55(3,4)48(41)31-36)28-42(52(44)57-50)32-17-19-33(20-18-32)53-56-49-15-9-10-16-51(49)58-53/h5-31H,1-4H3
InChIKeyIWZSHQBONVQPRL-UHFFFAOYSA-N
XLogP15.01
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.92
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)-5-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1,3-benzoxazole
CID 164803998
2-[3-(1,3-benzoxazol-2-yl)-5-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803799
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
2-[4-[4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 70829972
2-[4-[3-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-5-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-benzoxazole
CID 164803943
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
8-(1,3-benzoxazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 171755260
2-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59227970
2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
CID 157340678
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-5-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 164803850
2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164803936

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole (CID 67888489) is 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5c(-c6ccc(-c7nc8ccccc8o7)cc6)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c4c3)cc21.
What is the InChIKey of 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
The InChIKey is IWZSHQBONVQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO2/c1-54(2)45-13-7-5-11-38(45)40-24-21-35(30-47(40)54)34-23-26-50-43(27-34)44-29-37(36-22-25-41-39-12-6-8-14-46(39)55(3,4)48(41)31-36)28-42(52(44)57-50)32-17-19-33(20-18-32)53-56-49-15-9-10-16-51(49)58-53/h5-31H,1-4H3.
What are the key properties of 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole?
2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole has a molecular weight of 745.92 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 67888489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).