2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole

C39H24N2O2 — CID 171048416

IUPAC2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(C4(c5ccc6oc(-c7ccccc7)nc6c5)c5ccccc5-c5ccccc54)ccc3o2)cc1
InChIInChI=1S/C39H24N2O2/c1-3-11-25(12-4-1)37-40-33-23-27(19-21-35(33)42-37)39(31-17-9-7-15-29(31)30-16-8-10-18-32(30)39)28-20-22-36-34(24-28)41-38(43-36)26-13-5-2-6-14-26/h1-24H
InChIKeyRVFOSLYKUHHCGF-UHFFFAOYSA-N
MW552.63 g/mol
LogP9.67
Rot. Bonds4

About 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole

2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole (PubChem CID 171048416) has the molecular formula C39H24N2O2 and a molecular weight of 552.63 g/mol. Its IUPAC name is 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
PubChem CID171048416
Molecular FormulaC39H24N2O2
Molecular Weight552.63 g/mol
Exact Mass552.18
IUPAC Name2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(C4(c5ccc6oc(-c7ccccc7)nc6c5)c5ccccc5-c5ccccc54)ccc3o2)cc1
InChIInChI=1S/C39H24N2O2/c1-3-11-25(12-4-1)37-40-33-23-27(19-21-35(33)42-37)39(31-17-9-7-15-29(31)30-16-8-10-18-32(30)39)28-20-22-36-34(24-28)41-38(43-36)26-13-5-2-6-14-26/h1-24H
InChIKeyRVFOSLYKUHHCGF-UHFFFAOYSA-N
XLogP9.67
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
CID 146581616
6-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582036
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
2-phenyl-6-[9-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluoren-9-yl]-1,3-benzoxazole
CID 146581854
6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146581619
2-phenyl-5-[9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]fluoren-9-yl]-1,3-benzoxazole
CID 142298257
3-(1,3-benzoxazol-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 166924177
6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582063
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
N-(9,9-diphenylfluoren-2-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731706
9,9-dimethyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)fluoren-9-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 146581624

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole (CID 171048416) is 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole is c1ccc(-c2nc3cc(C4(c5ccc6oc(-c7ccccc7)nc6c5)c5ccccc5-c5ccccc54)ccc3o2)cc1.
What is the InChIKey of 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole?
The InChIKey is RVFOSLYKUHHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2O2/c1-3-11-25(12-4-1)37-40-33-23-27(19-21-35(33)42-37)39(31-17-9-7-15-29(31)30-16-8-10-18-32(30)39)28-20-22-36-34(24-28)41-38(43-36)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole?
2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole has a molecular weight of 552.63 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole is sourced from PubChem (CID 171048416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).