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

C72H48N10O2 — CID 163676483

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

2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole (PubChem CID 163676483) has the molecular formula C72H48N10O2 and a molecular weight of 1085.24 g/mol. Its IUPAC name is 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
• PubChem CID: 163676483
• Molecular Formula: C72H48N10O2
• Molecular Weight: 1085.24 g/mol
• Exact Mass: 1084.40
• IUPAC Name: 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole
• SMILES: Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(C8N=CC=CC8c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1
• InChI: InChI=1S/C72H48N10O2/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/h3-42,53,69H,1-2H3
• InChIKey: JHDICWFYIROCIE-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 138.73 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1085.24
LogP ≤ 5	17.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole (CID 163676483) is 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole.

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

The canonical SMILES for 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole is Cc1cc2c(cn1)c1cc(-c3cccc(-c4ncccc4-c4ccccc4)n3)ccc1n2-c1coc(-c2ccc3cc(-c4nc(-n5c6ccc(-c7cccc(C8N=CC=CC8c8ccccc8)n7)cc6c6cnc(C)cc65)co4)ccc3c2)n1.

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

The InChIKey is JHDICWFYIROCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N10O2/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/h3-42,53,69H,1-2H3.

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

2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole has a molecular weight of 1085.24 g/mol, XLogP of 17.07, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-[3-methyl-8-[6-(3-phenyl-2,3-dihydropyridin-2-yl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazol-2-yl]naphthalen-2-yl]-4-[3-methyl-8-[6-(3-phenyl-2-pyridinyl)-2-pyridinyl]pyrido[4,3-b]indol-5-yl]-1,3-oxazole is sourced from PubChem (CID 163676483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).