2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole

C65H43N7O3 — CID 164705944

IUPAC2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2cccc(-c3cc(-c4nc5ccccc5o4)c(-c4cccc(N5c6ccccc6N(C)c6ccccc65)c4)c(-c4nc5ccccc5o4)c3-c3nc4ccccc4o3)c2)c2ccccc21
InChIInChI=1S/C65H43N7O3/c1-69-49-26-6-10-30-53(49)71(54-31-11-7-27-50(54)69)42-21-17-19-40(37-42)44-39-45(63-66-46-23-3-14-34-57(46)73-63)60(41-20-18-22-43(38-41)72-55-32-12-8-28-51(55)70(2)52-29-9-13-33-56(52)72)62(65-68-48-25-5-16-36-59(48)75-65)61(44)64-67-47-24-4-15-35-58(47)74-64/h3-39H,1-2H3
InChIKeyCNSAIHZPRRXYIT-UHFFFAOYSA-N
MW970.11 g/mol
LogP17.55
Rot. Bonds7

About 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole

2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 164705944) has the molecular formula C65H43N7O3 and a molecular weight of 970.11 g/mol. Its IUPAC name is 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
PubChem CID164705944
Molecular FormulaC65H43N7O3
Molecular Weight970.11 g/mol
Exact Mass969.34
IUPAC Name2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2cccc(-c3cc(-c4nc5ccccc5o4)c(-c4cccc(N5c6ccccc6N(C)c6ccccc65)c4)c(-c4nc5ccccc5o4)c3-c3nc4ccccc4o3)c2)c2ccccc21
InChIInChI=1S/C65H43N7O3/c1-69-49-26-6-10-30-53(49)71(54-31-11-7-27-50(54)69)42-21-17-19-40(37-42)44-39-45(63-66-46-23-3-14-34-57(46)73-63)60(41-20-18-22-43(38-41)72-55-32-12-8-28-51(55)70(2)52-29-9-13-33-56(52)72)62(65-68-48-25-5-16-36-59(48)75-65)61(44)64-67-47-24-4-15-35-58(47)74-64/h3-39H,1-2H3
InChIKeyCNSAIHZPRRXYIT-UHFFFAOYSA-N
XLogP17.55
TPSA91.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.11
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 165111520
2-[4-(1,3-benzoxazol-2-yl)-2,3,5-tris(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 164705897
2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
CID 164705976
2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
CID 164705907
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-(1,3-benzoxazol-2-yl)-N-heptyl-5-(10-phenylphenazin-5-yl)aniline
CID 160612470
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552
5-methyl-10-[3-[2,3,5,6-tetrakis(3-methylimidazo[4,5-b]pyridin-2-yl)-4-phenylphenyl]phenyl]phenazine
CID 164705835
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine
CID 162785278

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole (CID 164705944) is 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole is CN1c2ccccc2N(c2cccc(-c3cc(-c4nc5ccccc5o4)c(-c4cccc(N5c6ccccc6N(C)c6ccccc65)c4)c(-c4nc5ccccc5o4)c3-c3nc4ccccc4o3)c2)c2ccccc21.
What is the InChIKey of 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is CNSAIHZPRRXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N7O3/c1-69-49-26-6-10-30-53(49)71(54-31-11-7-27-50(54)69)42-21-17-19-40(37-42)44-39-45(63-66-46-23-3-14-34-57(46)73-63)60(41-20-18-22-43(38-41)72-55-32-12-8-28-51(55)70(2)52-29-9-13-33-56(52)72)62(65-68-48-25-5-16-36-59(48)75-65)61(44)64-67-47-24-4-15-35-58(47)74-64/h3-39H,1-2H3.
What are the key properties of 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole?
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 970.11 g/mol, XLogP of 17.55, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis[3-(10-methylphenazin-5-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164705944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).