2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole

C77H54N8O2 — CID 164705866

IUPAC2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3cccc(-c4nc5ccccc5o4)c3)c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2-c2cccc(-c3nc4ccccc4o3)c2)c2ccccc21
InChIInChI=1S/C77H54N8O2/c1-80-56-33-9-15-39-62(56)83(63-40-16-10-34-57(63)80)73-71(50-27-23-29-52(47-50)76-78-54-31-7-21-45-68(54)86-76)70(49-25-5-4-6-26-49)74(84-64-41-17-11-35-58(64)81(2)59-36-12-18-42-65(59)84)75(85-66-43-19-13-37-60(66)82(3)61-38-14-20-44-67(61)85)72(73)51-28-24-30-53(48-51)77-79-55-32-8-22-46-69(55)87-77/h4-48H,1-3H3
InChIKeyKMCONLUGZUYPMT-UHFFFAOYSA-N
MW1123.33 g/mol
LogP20.96
Rot. Bonds8

About 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole

2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole (PubChem CID 164705866) has the molecular formula C77H54N8O2 and a molecular weight of 1123.33 g/mol. Its IUPAC name is 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole
PubChem CID164705866
Molecular FormulaC77H54N8O2
Molecular Weight1123.33 g/mol
Exact Mass1122.44
IUPAC Name2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3cccc(-c4nc5ccccc5o4)c3)c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2-c2cccc(-c3nc4ccccc4o3)c2)c2ccccc21
InChIInChI=1S/C77H54N8O2/c1-80-56-33-9-15-39-62(56)83(63-40-16-10-34-57(63)80)73-71(50-27-23-29-52(47-50)76-78-54-31-7-21-45-68(54)86-76)70(49-25-5-4-6-26-49)74(84-64-41-17-11-35-58(64)81(2)59-36-12-18-42-65(59)84)75(85-66-43-19-13-37-60(66)82(3)61-38-14-20-44-67(61)85)72(73)51-28-24-30-53(48-51)77-79-55-32-8-22-46-69(55)87-77/h4-48H,1-3H3
InChIKeyKMCONLUGZUYPMT-UHFFFAOYSA-N
XLogP20.96
TPSA71.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.33
LogP ≤ 520.96
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-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
CID 164705976
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
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-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 170681660
2-[3-[6-[3-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenyl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 157124989
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
[3-[4-[3-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-trimethylsilane
CID 171056408
2-[3-(4-fluorophenyl)phenyl]-1,3-benzoxazole
CID 171056346

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 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) is 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole is CN1c2ccccc2N(c2c(-c3cccc(-c4nc5ccccc5o4)c3)c(-c3ccccc3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2-c2cccc(-c3nc4ccccc4o3)c2)c2ccccc21.
What is the InChIKey of 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole?
The InChIKey is KMCONLUGZUYPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N8O2/c1-80-56-33-9-15-39-62(56)83(63-40-16-10-34-57(63)80)73-71(50-27-23-29-52(47-50)76-78-54-31-7-21-45-68(54)86-76)70(49-25-5-4-6-26-49)74(84-64-41-17-11-35-58(64)81(2)59-36-12-18-42-65(59)84)75(85-66-43-19-13-37-60(66)82(3)61-38-14-20-44-67(61)85)72(73)51-28-24-30-53(48-51)77-79-55-32-8-22-46-69(55)87-77/h4-48H,1-3H3.
What are the key properties of 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole?
2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole has a molecular weight of 1123.33 g/mol, XLogP of 20.96, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(1,3-benzoxazol-2-yl)phenyl]-2,4,5-tris(10-methylphenazin-5-yl)-6-phenylphenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164705866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).