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

C56H44N6O2 — CID 135250313

IUPAC2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NCC(C)(C)O8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)O1
InChIInChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)41-23-39(29-57-31-41)37-17-21-51-47(27-37)45-25-35(15-19-49(45)61(51)43-11-7-5-8-12-43)36-16-20-50-46(26-36)48-28-38(18-22-52(48)62(50)44-13-9-6-10-14-44)40-24-42(32-58-30-40)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3
InChIKeyWOEGTIPQODQITD-UHFFFAOYSA-N
MW833.01 g/mol
LogP12.78
Rot. Bonds7

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

2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250313) has the molecular formula C56H44N6O2 and a molecular weight of 833.01 g/mol. Its IUPAC name is 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250313
Molecular FormulaC56H44N6O2
Molecular Weight833.01 g/mol
Exact Mass832.35
IUPAC Name2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NCC(C)(C)O8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)O1
InChIInChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)41-23-39(29-57-31-41)37-17-21-51-47(27-37)45-25-35(15-19-49(45)61(51)43-11-7-5-8-12-43)36-16-20-50-46(26-36)48-28-38(18-22-52(48)62(50)44-13-9-6-10-14-44)40-24-42(32-58-30-40)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3
InChIKeyWOEGTIPQODQITD-UHFFFAOYSA-N
XLogP12.78
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322400
8'-methyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176152
8'-benzyl-2-(1-methylindol-3-yl)spiro[4H-1,3-oxazole-5,3'-8-azabicyclo[3.2.1]octane]
CID 15176157
2'-(1-methylindol-3-yl)spiro[1-azabicyclo[3.3.1]nonane-4,5'-4H-1,3-oxazole]
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2'-(1,5-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
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2-[4-[(Z)-2-[3-[[5-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]-1-ethylindol-3-yl]-phenylmethyl]-1-ethylindol-5-yl]-1-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250313) is 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NCC(C)(C)O8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)O1.
What is the InChIKey of 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is WOEGTIPQODQITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)41-23-39(29-57-31-41)37-17-21-51-47(27-37)45-25-35(15-19-49(45)61(51)43-11-7-5-8-12-43)36-16-20-50-46(26-36)48-28-38(18-22-52(48)62(50)44-13-9-6-10-14-44)40-24-42(32-58-30-40)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3.
What are the key properties of 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 833.01 g/mol, XLogP of 12.78, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).