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

C78H59N11O — CID 164705907

IUPAC2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2N2c3ccccc3N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C78H59N11O/c1-80-51-29-7-17-39-61(51)85(62-40-18-8-30-52(62)80)73-72(78-79-50-28-6-27-49-71(50)90-78)74(86-63-41-19-9-31-53(63)81(2)54-32-10-20-42-64(54)86)76(88-67-45-23-13-35-57(67)83(4)58-36-14-24-46-68(58)88)77(89-69-47-25-15-37-59(69)84(5)60-38-16-26-48-70(60)89)75(73)87-65-43-21-11-33-55(65)82(3)56-34-12-22-44-66(56)87/h6-49H,1-5H3
InChIKeyNKKPVPAGUWRPFS-UHFFFAOYSA-N
MW1166.41 g/mol
LogP21.25
Rot. Bonds6

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

2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole (PubChem CID 164705907) has the molecular formula C78H59N11O and a molecular weight of 1166.41 g/mol. Its IUPAC name is 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
PubChem CID164705907
Molecular FormulaC78H59N11O
Molecular Weight1166.41 g/mol
Exact Mass1165.49
IUPAC Name2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESCN1c2ccccc2N(c2c(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2N2c3ccccc3N(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C78H59N11O/c1-80-51-29-7-17-39-61(51)85(62-40-18-8-30-52(62)80)73-72(78-79-50-28-6-27-49-71(50)90-78)74(86-63-41-19-9-31-53(63)81(2)54-32-10-20-42-64(54)86)76(88-67-45-23-13-35-57(67)83(4)58-36-14-24-46-68(58)88)77(89-69-47-25-15-37-59(69)84(5)60-38-16-26-48-70(60)89)75(73)87-65-43-21-11-33-55(65)82(3)56-34-12-22-44-66(56)87/h6-49H,1-5H3
InChIKeyNKKPVPAGUWRPFS-UHFFFAOYSA-N
XLogP21.25
TPSA58.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.41
LogP ≤ 521.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[3,5-bis(1,3-benzoxazol-2-yl)-2,4-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole
CID 164705976
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-[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-(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-[2,4,5-tris(1,3-benzothiazol-2-yl)-3,6-bis(10-methylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 164706104
2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
CID 651855
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
2-(3,5-diphenylphenyl)-1,3-benzoxazole
CID 134237405
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole (CID 164705907) is 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole is CN1c2ccccc2N(c2c(-c3nc4ccccc4o3)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c(N3c4ccccc4N(C)c4ccccc43)c2N2c3ccccc3N(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The InChIKey is NKKPVPAGUWRPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H59N11O/c1-80-51-29-7-17-39-61(51)85(62-40-18-8-30-52(62)80)73-72(78-79-50-28-6-27-49-71(50)90-78)74(86-63-41-19-9-31-53(63)81(2)54-32-10-20-42-64(54)86)76(88-67-45-23-13-35-57(67)83(4)58-36-14-24-46-68(58)88)77(89-69-47-25-15-37-59(69)84(5)60-38-16-26-48-70(60)89)75(73)87-65-43-21-11-33-55(65)82(3)56-34-12-22-44-66(56)87/h6-49H,1-5H3.
What are the key properties of 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole?
2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole has a molecular weight of 1166.41 g/mol, XLogP of 21.25, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5,6-pentakis(10-methylphenazin-5-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).