2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol

C37H26N2O3 — CID 177110077

IUPAC2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol
SMILESCC(C)c1cc(-c2cccc(-c3cc4c5ccccc5oc4c4cccnc34)c2)c2nc(-c3ccccc3O)oc2c1
InChIInChI=1S/C37H26N2O3/c1-21(2)24-18-28(35-33(19-24)42-37(39-35)26-12-3-5-14-31(26)40)22-9-7-10-23(17-22)29-20-30-25-11-4-6-15-32(25)41-36(30)27-13-8-16-38-34(27)29/h3-21,40H,1-2H3
InChIKeyBZARQSBCTUWQOU-UHFFFAOYSA-N
MW546.63 g/mol
LogP10.11
Rot. Bonds4

About 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol

2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol (PubChem CID 177110077) has the molecular formula C37H26N2O3 and a molecular weight of 546.63 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol
PubChem CID177110077
Molecular FormulaC37H26N2O3
Molecular Weight546.63 g/mol
Exact Mass546.19
IUPAC Name2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol
SMILESCC(C)c1cc(-c2cccc(-c3cc4c5ccccc5oc4c4cccnc34)c2)c2nc(-c3ccccc3O)oc2c1
InChIInChI=1S/C37H26N2O3/c1-21(2)24-18-28(35-33(19-24)42-37(39-35)26-12-3-5-14-31(26)40)22-9-7-10-23(17-22)29-20-30-25-11-4-6-15-32(25)41-36(30)27-13-8-16-38-34(27)29/h3-21,40H,1-2H3
InChIKeyBZARQSBCTUWQOU-UHFFFAOYSA-N
XLogP10.11
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[3-(1-phenylethyl)-2-pyridinyl]phenyl]-1,3-benzoxazol-2-yl]phenol
CID 164742086
2-[4-[3-([1]benzofuro[3,2-f]quinolin-5-yl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 177110784
4-tert-butyl-2-[4-[3-(7-tert-butylquinoxalin-5-yl)phenyl]-6-[3,5-di(propan-2-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110955
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
CID 137473418
2-[6-benzyl-4-[3-(6-tert-butylquinolin-8-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110020
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
2-[6-tert-butyl-4-[3-(4-tert-butyl-6-pyridin-4-ylquinolin-8-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177110014
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746129
2-[3-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,10-phenanthroline
CID 164834871
2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-tert-butyl-2-[6-(N-phenylanilino)-4-[3-(4-phenylquinolin-8-yl)phenyl]-1,3-benzoxazol-2-yl]phenol
CID 177109950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol (CID 177110077) is 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol is CC(C)c1cc(-c2cccc(-c3cc4c5ccccc5oc4c4cccnc34)c2)c2nc(-c3ccccc3O)oc2c1.
What is the InChIKey of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol?
The InChIKey is BZARQSBCTUWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2O3/c1-21(2)24-18-28(35-33(19-24)42-37(39-35)26-12-3-5-14-31(26)40)22-9-7-10-23(17-22)29-20-30-25-11-4-6-15-32(25)41-36(30)27-13-8-16-38-34(27)29/h3-21,40H,1-2H3.
What are the key properties of 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol?
2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol has a molecular weight of 546.63 g/mol, XLogP of 10.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-([1]benzofuro[2,3-f]quinolin-5-yl)phenyl]-6-propan-2-yl-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 177110077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).