2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole

C152H92N16O6 — CID 157077722

IUPAC2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)nc3)nc3ccccc32)cc1
InChIInChI=1S/C57H35N5O2.C51H31N5O2.C44H26N6O2/c1-4-14-36(15-5-1)43-34-49-54(35-44(43)37-16-6-2-7-17-37)64-57(60-49)40-27-31-51-46(33-40)45-32-39(56-59-48-21-11-13-23-53(48)63-56)26-30-50(45)61(51)42-28-24-38(25-29-42)55-58-47-20-10-12-22-52(47)62(55)41-18-8-3-9-19-41;1-3-11-32(12-4-1)34-21-26-43-48(31-34)58-51(54-43)36-23-28-45-40(30-36)39-29-35(50-53-42-16-8-10-18-47(42)57-50)22-27-44(39)55(45)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44/h1-35H;1-31H;1-26H
InChIKeyADEARJLIXCYSBR-UHFFFAOYSA-N
MW2238.51 g/mol
LogP38.61
Rot. Bonds18

About 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole

2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole (PubChem CID 157077722) has the molecular formula C152H92N16O6 and a molecular weight of 2238.51 g/mol. Its IUPAC name is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
PubChem CID157077722
Molecular FormulaC152H92N16O6
Molecular Weight2238.51 g/mol
Exact Mass2236.74
IUPAC Name2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)nc3)nc3ccccc32)cc1
InChIInChI=1S/C57H35N5O2.C51H31N5O2.C44H26N6O2/c1-4-14-36(15-5-1)43-34-49-54(35-44(43)37-16-6-2-7-17-37)64-57(60-49)40-27-31-51-46(33-40)45-32-39(56-59-48-21-11-13-23-53(48)63-56)26-30-50(45)61(51)42-28-24-38(25-29-42)55-58-47-20-10-12-22-52(47)62(55)41-18-8-3-9-19-41;1-3-11-32(12-4-1)34-21-26-43-48(31-34)58-51(54-43)36-23-28-45-40(30-36)39-29-35(50-53-42-16-8-10-18-47(42)57-50)22-27-44(39)55(45)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44/h1-35H;1-31H;1-26H
InChIKeyADEARJLIXCYSBR-UHFFFAOYSA-N
XLogP38.61
TPSA237.32 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.51
LogP ≤ 538.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole with MolForge

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Related Compounds

4-(1,3-benzoxazol-2-yl)-3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]aniline
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2-[5-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525586
2-[5-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155531970
2-[4-[[2-Butyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155535137
2-[5-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155539281
2-[5-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155541169
2-[4-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155550437
2-[4-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553011
2-[5-[[4-Methyl-6-(7-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155553981
2-[4-[[4-Methyl-6-(4-methyl-1,3-benzoxazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155558947
2-[4-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155560093

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole (CID 157077722) is 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole is c1ccc(-c2cc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3cc2-c2ccccc2)cc1.c1ccc(-c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccccc7o6)ccc4n5-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)oc3c2)cc1.c1ccc(-n2c(-c3ccc(-n4c5ccc(-c6nc7ccccc7o6)cc5c5cc(-c6nc7ccccc7o6)ccc54)nc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole?
The InChIKey is ADEARJLIXCYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O2.C51H31N5O2.C44H26N6O2/c1-4-14-36(15-5-1)43-34-49-54(35-44(43)37-16-6-2-7-17-37)64-57(60-49)40-27-31-51-46(33-40)45-32-39(56-59-48-21-11-13-23-53(48)63-56)26-30-50(45)61(51)42-28-24-38(25-29-42)55-58-47-20-10-12-22-52(47)62(55)41-18-8-3-9-19-41;1-3-11-32(12-4-1)34-21-26-43-48(31-34)58-51(54-43)36-23-28-45-40(30-36)39-29-35(50-53-42-16-8-10-18-47(42)57-50)22-27-44(39)55(45)38-24-19-33(20-25-38)49-52-41-15-7-9-17-46(41)56(49)37-13-5-2-6-14-37;1-2-10-30(11-3-1)49-38-15-7-4-12-33(38)46-42(49)29-20-23-41(45-26-29)50-36-21-18-27(43-47-34-13-5-8-16-39(34)51-43)24-31(36)32-25-28(19-22-37(32)50)44-48-35-14-6-9-17-40(35)52-44/h1-35H;1-31H;1-26H.
What are the key properties of 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole?
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole has a molecular weight of 2238.51 g/mol, XLogP of 38.61, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-5,6-diphenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 157077722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).