2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
C65H56N4O2 — CID 139225238
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
SMILESCc1c(C(c2cc(Cc3ccc(OCc4ccccc4)c(C(c4[nH]c5ccccc5c4C)c4[nH]c5ccccc5c4C)c3)ccc2OCc2ccccc2)c2[nH]c3ccccc3c2C)[nH]c2ccccc12
InChIInChI=1S/C65H56N4O2/c1-40-48-23-11-15-27-54(48)66-62(40)60(63-41(2)49-24-12-16-28-55(49)67-63)52-36-46(31-33-58(52)70-38-44-19-7-5-8-20-44)35-47-32-34-59(71-39-45-21-9-6-10-22-45)53(37-47)61(64-42(3)50-25-13-17-29-56(50)68-64)65-43(4)51-26-14-18-30-57(51)69-65/h5-34,36-37,60-61,66-69H,35,38-39H2,1-4H3
InChIKeyVCPUCIIFPKHUNW-UHFFFAOYSA-N
MW925.19 g/mol
LogP15.95
Rot. Bonds14
About 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole
2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole (PubChem CID 139225238) has the molecular formula C65H56N4O2 and a molecular weight of 925.19 g/mol. Its IUPAC name is 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole.
Molecular Properties
| Compound Name | 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole |
|---|---|
| PubChem CID | 139225238 |
| Molecular Formula | C65H56N4O2 |
| Molecular Weight | 925.19 g/mol |
| Exact Mass | 924.44 |
| IUPAC Name | 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole |
| SMILES | Cc1c(C(c2cc(Cc3ccc(OCc4ccccc4)c(C(c4[nH]c5ccccc5c4C)c4[nH]c5ccccc5c4C)c3)ccc2OCc2ccccc2)c2[nH]c3ccccc3c2C)[nH]c2ccccc12 |
| InChI | InChI=1S/C65H56N4O2/c1-40-48-23-11-15-27-54(48)66-62(40)60(63-41(2)49-24-12-16-28-55(49)67-63)52-36-46(31-33-58(52)70-38-44-19-7-5-8-20-44)35-47-32-34-59(71-39-45-21-9-6-10-22-45)53(37-47)61(64-42(3)50-25-13-17-29-56(50)68-64)65-43(4)51-26-14-18-30-57(51)69-65/h5-34,36-37,60-61,66-69H,35,38-39H2,1-4H3 |
| InChIKey | VCPUCIIFPKHUNW-UHFFFAOYSA-N |
| XLogP | 15.95 |
| TPSA | 81.62 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 71 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 925.19 |
| LogP ≤ 5 | 15.95 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 2 |
Frequently Asked Questions
What is the IUPAC name of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The IUPAC name of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole (CID 139225238) is 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole.
What is the SMILES notation for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The canonical SMILES for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole is Cc1c(C(c2cc(Cc3ccc(OCc4ccccc4)c(C(c4[nH]c5ccccc5c4C)c4[nH]c5ccccc5c4C)c3)ccc2OCc2ccccc2)c2[nH]c3ccccc3c2C)[nH]c2ccccc12.
What is the InChIKey of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
The InChIKey is VCPUCIIFPKHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N4O2/c1-40-48-23-11-15-27-54(48)66-62(40)60(63-41(2)49-24-12-16-28-55(49)67-63)52-36-46(31-33-58(52)70-38-44-19-7-5-8-20-44)35-47-32-34-59(71-39-45-21-9-6-10-22-45)53(37-47)61(64-42(3)50-25-13-17-29-56(50)68-64)65-43(4)51-26-14-18-30-57(51)69-65/h5-34,36-37,60-61,66-69H,35,38-39H2,1-4H3.
What are the key properties of 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole?
2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole has a molecular weight of 925.19 g/mol, XLogP of 15.95, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[3-[bis(3-methyl-1H-indol-2-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(3-methyl-1H-indol-2-yl)methyl]-3-methyl-1H-indole is sourced from PubChem (CID 139225238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 139225238 — identifiers, structure, computed properties (public domain)
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