6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

C40H26N2O2 — CID 68836717

IUPAC6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESC(=Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1)c1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1
InChIInChI=1S/C40H26N2O2/c1-3-7-29(8-4-1)33-21-23-35-37(25-33)43-39(41-35)31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-42-36-24-22-34(26-38(36)44-40)30-9-5-2-6-10-30/h1-26H
InChIKeyCMZHMDDJCNPLPF-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.81
Rot. Bonds6

About 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (PubChem CID 68836717) has the molecular formula C40H26N2O2 and a molecular weight of 566.66 g/mol. Its IUPAC name is 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
PubChem CID68836717
Molecular FormulaC40H26N2O2
Molecular Weight566.66 g/mol
Exact Mass566.20
IUPAC Name6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
SMILESC(=Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1)c1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1
InChIInChI=1S/C40H26N2O2/c1-3-7-29(8-4-1)33-21-23-35-37(25-33)43-39(41-35)31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-42-36-24-22-34(26-38(36)44-40)30-9-5-2-6-10-30/h1-26H
InChIKeyCMZHMDDJCNPLPF-UHFFFAOYSA-N
XLogP10.81
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Benzoxazole, 2-methyl-5-phenyl-
CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
Fluorescent brightener 367
CID 78769
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2-(2'-Methylphenyl)benzoxazole
CID 154899
Dimethyl-POPOP
CID 76491
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
Benzoxazole, 5-methyl-2-(4-methylphenyl)-
CID 85307

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole (CID 68836717) is 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is C(=Cc1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1)c1ccc(-c2nc3ccc(-c4ccccc4)cc3o2)cc1.
What is the InChIKey of 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
The InChIKey is CMZHMDDJCNPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O2/c1-3-7-29(8-4-1)33-21-23-35-37(25-33)43-39(41-35)31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)40-42-36-24-22-34(26-38(36)44-40)30-9-5-2-6-10-30/h1-26H.
What are the key properties of 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole?
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole has a molecular weight of 566.66 g/mol, XLogP of 10.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 68836717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).