1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one

C71H68N6O3 — CID 162718958

About 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one

1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one (PubChem CID 162718958) has the molecular formula C71H68N6O3 and a molecular weight of 1053.36 g/mol. Its IUPAC name is 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one.

Molecular Properties

• Compound Name: 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one
• PubChem CID: 162718958
• Molecular Formula: C71H68N6O3
• Molecular Weight: 1053.36 g/mol
• Exact Mass: 1052.54
• IUPAC Name: 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one
• SMILES: COc1cccc(CN2CCC(n3c4ccccc4c4c(C(C(=O)C(c5cn(C)c6ccccc56)c5cccc6c5c5ccccc5n6C5CCN(Cc6cccc(OC)c6)CC5)c5cn(C)c6ccccc56)cccc43)CC2)c1
• InChI: InChI=1S/C71H68N6O3/c1-72-45-59(53-21-5-9-27-61(53)72)69(57-25-15-31-65-67(57)55-23-7-11-29-63(55)76(65)49-33-37-74(38-34-49)43-47-17-13-19-51(41-47)79-3)71(78)70(60-46-73(2)62-28-10-6-22-54(60)62)58-26-16-32-66-68(58)56-24-8-12-30-64(56)77(66)50-35-39-75(40-36-50)44-48-18-14-20-52(42-48)80-4/h5-32,41-42,45-46,49-50,69-70H,33-40,43-44H2,1-4H3
• InChIKey: GAEKFJRUJKXZNW-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 61.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1053.36
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The IUPAC name of 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one (CID 162718958) is 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one.

What is the SMILES notation for 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The canonical SMILES for 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one is COc1cccc(CN2CCC(n3c4ccccc4c4c(C(C(=O)C(c5cn(C)c6ccccc56)c5cccc6c5c5ccccc5n6C5CCN(Cc6cccc(OC)c6)CC5)c5cn(C)c6ccccc56)cccc43)CC2)c1.

What is the InChIKey of 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

The InChIKey is GAEKFJRUJKXZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H68N6O3/c1-72-45-59(53-21-5-9-27-61(53)72)69(57-25-15-31-65-67(57)55-23-7-11-29-63(55)76(65)49-33-37-74(38-34-49)43-47-17-13-19-51(41-47)79-3)71(78)70(60-46-73(2)62-28-10-6-22-54(60)62)58-26-16-32-66-68(58)56-24-8-12-30-64(56)77(66)50-35-39-75(40-36-50)44-48-18-14-20-52(42-48)80-4/h5-32,41-42,45-46,49-50,69-70H,33-40,43-44H2,1-4H3.

What are the key properties of 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one?

1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one has a molecular weight of 1053.36 g/mol, XLogP of 15.11, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[9-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]carbazol-4-yl]-1,3-bis(1-methylindol-3-yl)propan-2-one is sourced from PubChem (CID 162718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).