6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole

C30H18N2O2S — CID 14993647

IUPAC6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ccccc7)cc6o5)s4)oc3c2)cc1
InChIInChI=1S/C30H18N2O2S/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)33-29(31-23)27-15-16-28(35-27)30-32-24-14-12-22(18-26(24)34-30)20-9-5-2-6-10-20/h1-18H
InChIKeyKZMYTRGGMQQKFQ-UHFFFAOYSA-N
MW470.55 g/mol
LogP8.70
Rot. Bonds4

About 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole

6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (PubChem CID 14993647) has the molecular formula C30H18N2O2S and a molecular weight of 470.55 g/mol. Its IUPAC name is 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
PubChem CID14993647
Molecular FormulaC30H18N2O2S
Molecular Weight470.55 g/mol
Exact Mass470.11
IUPAC Name6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ccccc7)cc6o5)s4)oc3c2)cc1
InChIInChI=1S/C30H18N2O2S/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)33-29(31-23)27-15-16-28(35-27)30-32-24-14-12-22(18-26(24)34-30)20-9-5-2-6-10-20/h1-18H
InChIKeyKZMYTRGGMQQKFQ-UHFFFAOYSA-N
XLogP8.70
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The IUPAC name of 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole (CID 14993647) is 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3nc(-c4ccc(-c5nc6ccc(-c7ccccc7)cc6o5)s4)oc3c2)cc1.
What is the InChIKey of 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
The InChIKey is KZMYTRGGMQQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O2S/c1-3-7-19(8-4-1)21-11-13-23-25(17-21)33-29(31-23)27-15-16-28(35-27)30-32-24-14-12-22(18-26(24)34-30)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole?
6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole has a molecular weight of 470.55 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[5-(6-phenyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 14993647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).