2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole

C172H140N18O6 — CID 159740402

IUPAC2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)O1.CC1(C)COC(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)CO8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)OC1(C)C
InChIInChI=1S/C60H52N6O2.2C56H44N6O2/c1-57(2)59(5,6)67-55(63-57)49-25-19-41(35-61-49)39-23-29-53-47(33-39)45-31-37(21-27-51(45)65(53)43-15-11-9-12-16-43)38-22-28-52-46(32-38)48-34-40(24-30-54(48)66(52)44-17-13-10-14-18-44)42-20-26-50(62-36-42)56-64-58(3,4)60(7,8)68-56;1-55(2)33-63-53(59-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-56(3,4)34-64-54;1-55(2)33-59-53(63-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-34-56(3,4)64-54/h9-36H,1-8H3;2*5-32H,33-34H2,1-4H3
InChIKeyNCJQFKXYZBRWKB-UHFFFAOYSA-N
MW2555.13 g/mol
LogP39.90
Rot. Bonds21

About 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole

2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole (PubChem CID 159740402) has the molecular formula C172H140N18O6 and a molecular weight of 2555.13 g/mol. Its IUPAC name is 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole
PubChem CID159740402
Molecular FormulaC172H140N18O6
Molecular Weight2555.13 g/mol
Exact Mass2553.12
IUPAC Name2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)O1.CC1(C)COC(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)CO8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)OC1(C)C
InChIInChI=1S/C60H52N6O2.2C56H44N6O2/c1-57(2)59(5,6)67-55(63-57)49-25-19-41(35-61-49)39-23-29-53-47(33-39)45-31-37(21-27-51(45)65(53)43-15-11-9-12-16-43)38-22-28-52-46(32-38)48-34-40(24-30-54(48)66(52)44-17-13-10-14-18-44)42-20-26-50(62-36-42)56-64-58(3,4)60(7,8)68-56;1-55(2)33-63-53(59-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-56(3,4)34-64-54;1-55(2)33-59-53(63-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-34-56(3,4)64-54/h9-36H,1-8H3;2*5-32H,33-34H2,1-4H3
InChIKeyNCJQFKXYZBRWKB-UHFFFAOYSA-N
XLogP39.90
TPSA236.46 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002555.13
LogP ≤ 539.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole (CID 159740402) is 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)O1.CC1(C)COC(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)CO8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)=N1.CC1(C)N=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NC(C)(C)C(C)(C)O8)nc7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)cn2)OC1(C)C.
What is the InChIKey of 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is NCJQFKXYZBRWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N6O2.2C56H44N6O2/c1-57(2)59(5,6)67-55(63-57)49-25-19-41(35-61-49)39-23-29-53-47(33-39)45-31-37(21-27-51(45)65(53)43-15-11-9-12-16-43)38-22-28-52-46(32-38)48-34-40(24-30-54(48)66(52)44-17-13-10-14-18-44)42-20-26-50(62-36-42)56-64-58(3,4)60(7,8)68-56;1-55(2)33-63-53(59-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-56(3,4)34-64-54;1-55(2)33-59-53(63-55)47-21-15-39(31-57-47)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)40-16-22-48(58-32-40)54-60-34-56(3,4)64-54/h9-36H,1-8H3;2*5-32H,33-34H2,1-4H3.
What are the key properties of 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole?
2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 2555.13 g/mol, XLogP of 39.90, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[6-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole;2-[5-[6-[6-[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 159740402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).