2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole

C94H53N15O4S — CID 91005795

IUPAC2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5nc6ccccc6nc5-c5nccc(-c6n[nH]c7cccc(-c8occc8-c8sccc8-c8[nH]ccc8-c8ncco8)c67)n5)c5ccccc5n4)c4ccccc34)c3[nH]cnc23)nc1
InChIInChI=1S/C94H53N15O4S/c1-2-20-52-51(19-1)81(76-55-23-6-12-35-70(55)113-90(76)78-75(57-26-15-24-50-49-18-3-7-28-62(49)101-80(50)57)74(77(66-32-13-14-41-95-66)85-86(78)100-48-99-85)56-25-17-36-71-72(56)54-22-5-11-34-69(54)112-71)106-83(52)93-104-63-29-8-4-21-53(63)82(107-93)87-88(103-65-31-10-9-30-64(65)102-87)92-97-43-38-68(105-92)84-73-58(27-16-33-67(73)108-109-84)89-61(39-45-110-89)91-59(40-47-114-91)79-60(37-42-96-79)94-98-44-46-111-94/h1-48,96,101,106H,(H,99,100)(H,108,109)
InChIKeyLFCLDBHOJMNXES-UHFFFAOYSA-N
MW1488.63 g/mol
LogP23.91
Rot. Bonds13

About 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole

2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole (PubChem CID 91005795) has the molecular formula C94H53N15O4S and a molecular weight of 1488.63 g/mol. Its IUPAC name is 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
PubChem CID91005795
Molecular FormulaC94H53N15O4S
Molecular Weight1488.63 g/mol
Exact Mass1487.41
IUPAC Name2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
SMILESc1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5nc6ccccc6nc5-c5nccc(-c6n[nH]c7cccc(-c8occc8-c8sccc8-c8[nH]ccc8-c8ncco8)c67)n5)c5ccccc5n4)c4ccccc34)c3[nH]cnc23)nc1
InChIInChI=1S/C94H53N15O4S/c1-2-20-52-51(19-1)81(76-55-23-6-12-35-70(55)113-90(76)78-75(57-26-15-24-50-49-18-3-7-28-62(49)101-80(50)57)74(77(66-32-13-14-41-95-66)85-86(78)100-48-99-85)56-25-17-36-71-72(56)54-22-5-11-34-69(54)112-71)106-83(52)93-104-63-29-8-4-21-53(63)82(107-93)87-88(103-65-31-10-9-30-64(65)102-87)92-97-43-38-68(105-92)84-73-58(27-16-33-67(73)108-109-84)89-61(39-45-110-89)91-59(40-47-114-91)79-60(37-42-96-79)94-98-44-46-111-94/h1-48,96,101,106H,(H,99,100)(H,108,109)
InChIKeyLFCLDBHOJMNXES-UHFFFAOYSA-N
XLogP23.91
TPSA260.41 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.63
LogP ≤ 523.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole (CID 91005795) is 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole is c1ccc(-c2c(-c3cccc4oc5ccccc5c34)c(-c3cccc4c3[nH]c3ccccc34)c(-c3oc4ccccc4c3-c3[nH]c(-c4nc(-c5nc6ccccc6nc5-c5nccc(-c6n[nH]c7cccc(-c8occc8-c8sccc8-c8[nH]ccc8-c8ncco8)c67)n5)c5ccccc5n4)c4ccccc34)c3[nH]cnc23)nc1.
What is the InChIKey of 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?
The InChIKey is LFCLDBHOJMNXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H53N15O4S/c1-2-20-52-51(19-1)81(76-55-23-6-12-35-70(55)113-90(76)78-75(57-26-15-24-50-49-18-3-7-28-62(49)101-80(50)57)74(77(66-32-13-14-41-95-66)85-86(78)100-48-99-85)56-25-17-36-71-72(56)54-22-5-11-34-69(54)112-71)106-83(52)93-104-63-29-8-4-21-53(63)82(107-93)87-88(103-65-31-10-9-30-64(65)102-87)92-97-43-38-68(105-92)84-73-58(27-16-33-67(73)108-109-84)89-61(39-45-110-89)91-59(40-47-114-91)79-60(37-42-96-79)94-98-44-46-111-94/h1-48,96,101,106H,(H,99,100)(H,108,109).
What are the key properties of 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole?
2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole has a molecular weight of 1488.63 g/mol, XLogP of 23.91, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[3-[2-[3-[2-[3-[2-[5-(9H-carbazol-1-yl)-6-dibenzofuran-1-yl-7-pyridin-2-yl-3H-benzimidazol-4-yl]-1-benzofuran-3-yl]-2H-isoindol-1-yl]quinazolin-4-yl]quinoxalin-2-yl]pyrimidin-4-yl]-1H-indazol-4-yl]furan-3-yl]thiophen-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole is sourced from PubChem (CID 91005795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).