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

C34H23NOS — CID 67888385

IUPAC2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3nc4ccccc4o3)ccc2-c2ccc(-c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C34H23NOS/c1-34(2)27-18-20(22-9-7-10-26-25-8-3-6-13-31(25)37-32(22)26)14-16-23(27)24-17-15-21(19-28(24)34)33-35-29-11-4-5-12-30(29)36-33/h3-19H,1-2H3
InChIKeyDFWZCHJPSBQMDS-UHFFFAOYSA-N
MW493.63 g/mol
LogP9.84
Rot. Bonds2

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

2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole (PubChem CID 67888385) has the molecular formula C34H23NOS and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
PubChem CID67888385
Molecular FormulaC34H23NOS
Molecular Weight493.63 g/mol
Exact Mass493.15
IUPAC Name2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
SMILESCC1(C)c2cc(-c3nc4ccccc4o3)ccc2-c2ccc(-c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C34H23NOS/c1-34(2)27-18-20(22-9-7-10-26-25-8-3-6-13-31(25)37-32(22)26)14-16-23(27)24-17-15-21(19-28(24)34)33-35-29-11-4-5-12-30(29)36-33/h3-19H,1-2H3
InChIKeyDFWZCHJPSBQMDS-UHFFFAOYSA-N
XLogP9.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fluorescent brightener 184
CID 292429
Fluorescent brightener 367
CID 78769
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)thiophene-2-carboxamide
CID 1282086
2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
CID 25211317
5-[2-[4-(4-Fluorophenyl)-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxylic acid
CID 137385146
Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis[5-(ethylsulfonyl)-
CID 170735
2-[2-(4-Methylsulfanylphenyl)phenyl]-1,3-benzoxazole
CID 90680940
5,7-Di-tert-butyl-2-(thiophen-2-yl)benzo[d]oxazole
CID 16727572
2,2'-Thiene-2,5-diylbis[5-(2-phenylpropan-2-yl)-1,3-benzoxazole]
CID 2193687
(2Z)-2-(1,3-Benzoxazol-2-YL)-1-(4-methylphenyl)-3-(thiophen-2-YL)prop-2-EN-1-one
CID 46499345
5-phenyl-2-[(E)-2-thiophen-2-ylethenyl]-1,3-benzoxazole
CID 5992288
5,7-Ditert-butyl-2-(3-thienyl)-1,3-benzoxazole
CID 16727614

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole (CID 67888385) is 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole is CC1(C)c2cc(-c3nc4ccccc4o3)ccc2-c2ccc(-c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
The InChIKey is DFWZCHJPSBQMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NOS/c1-34(2)27-18-20(22-9-7-10-26-25-8-3-6-13-31(25)37-32(22)26)14-16-23(27)24-17-15-21(19-28(24)34)33-35-29-11-4-5-12-30(29)36-33/h3-19H,1-2H3.
What are the key properties of 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole?
2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole has a molecular weight of 493.63 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 67888385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).