ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole

C74H54N10O2 — CID 144837079

About ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole

ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole (PubChem CID 144837079) has the molecular formula C74H54N10O2 and a molecular weight of 1115.31 g/mol. Its IUPAC name is ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
• PubChem CID: 144837079
• Molecular Formula: C74H54N10O2
• Molecular Weight: 1115.31 g/mol
• Exact Mass: 1114.44
• IUPAC Name: ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole
• SMILES: CC.Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2C1=COC(c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)N1
• InChI: InChI=1S/C72H48N10O2.C2H6/c1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46;1-2/h3-42,71,79H,1-2H3;1-2H3
• InChIKey: BOVACQIBXJKCLW-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 134.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.31
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The IUPAC name of ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole (CID 144837079) is ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole.

What is the SMILES notation for ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The canonical SMILES for ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole is CC.Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2C1=COC(c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(-c8ncccc8-c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)N1.

What is the InChIKey of ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

The InChIKey is BOVACQIBXJKCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N10O2.C2H6/c1-43-33-65-57(39-75-43)55-37-49(59-19-9-21-61(77-59)69-53(17-11-31-73-69)45-13-5-3-6-14-45)27-29-63(55)81(65)67-41-83-71(79-67)51-25-23-48-36-52(26-24-47(48)35-51)72-80-68(42-84-72)82-64-30-28-50(38-56(64)58-40-76-44(2)34-66(58)82)60-20-10-22-62(78-60)70-54(18-12-32-74-70)46-15-7-4-8-16-46;1-2/h3-42,71,79H,1-2H3;1-2H3.

What are the key properties of ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole?

ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole has a molecular weight of 1115.31 g/mol, XLogP of 17.79, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2-[6-[4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-2,3-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-1,3-oxazole is sourced from PubChem (CID 144837079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).