2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole

C53H35N7O3 — CID 164705976

IUPAC2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3o2)c2ccccc21
InChIInChI=1S/C53H35N7O3/c1-57-37-20-6-10-24-41(37)59(42-25-11-7-21-38(42)57)49-32(51-54-34-17-3-14-28-45(34)61-51)31-33(52-55-35-18-4-15-29-46(35)62-52)50(48(49)53-56-36-19-5-16-30-47(36)63-53)60-43-26-12-8-22-39(43)58(2)40-23-9-13-27-44(40)60/h3-31H,1-2H3
InChIKeyLQBIRPOZEFEEHA-UHFFFAOYSA-N
MW817.91 g/mol
LogP14.21
Rot. Bonds5

About 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole

2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole (PubChem CID 164705976) has the molecular formula C53H35N7O3 and a molecular weight of 817.91 g/mol. Its IUPAC name is 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
PubChem CID164705976
Molecular FormulaC53H35N7O3
Molecular Weight817.91 g/mol
Exact Mass817.28
IUPAC Name2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3o2)c2ccccc21
InChIInChI=1S/C53H35N7O3/c1-57-37-20-6-10-24-41(37)59(42-25-11-7-21-38(42)57)49-32(51-54-34-17-3-14-28-45(34)61-51)31-33(52-55-35-18-4-15-29-46(35)62-52)50(48(49)53-56-36-19-5-16-30-47(36)63-53)60-43-26-12-8-22-39(43)58(2)40-23-9-13-27-44(40)60/h3-31H,1-2H3
InChIKeyLQBIRPOZEFEEHA-UHFFFAOYSA-N
XLogP14.21
TPSA91.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.91
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
CID 164705907
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,4-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164706008
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
CID 164705944
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole
CID 164705866
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
2-[4-(1,3-benzoxazol-2-yl)-2,3,5-tris(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 164705897
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 165111520
2-(10-methylphenanthren-9-yl)-1,3-benzoxazole
CID 145303494
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-anthracen-9-yl-1,3-benzoxazole
CID 59439667
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929
2-(1,3-benzoxazol-2-yl)-N-heptyl-5-(10-phenylphenazin-5-yl)aniline
CID 160612470

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole (CID 164705976) is 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole is CN1c2ccccc2N(c2c(-c3nc4ccccc4o3)cc(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c2-c2nc3ccccc3o2)c2ccccc21.
What is the InChIKey of 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The InChIKey is LQBIRPOZEFEEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N7O3/c1-57-37-20-6-10-24-41(37)59(42-25-11-7-21-38(42)57)49-32(51-54-34-17-3-14-28-45(34)61-51)31-33(52-55-35-18-4-15-29-46(35)62-52)50(48(49)53-56-36-19-5-16-30-47(36)63-53)60-43-26-12-8-22-39(43)58(2)40-23-9-13-27-44(40)60/h3-31H,1-2H3.
What are the key properties of 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole has a molecular weight of 817.91 g/mol, XLogP of 14.21, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164705976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).