3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole

C46H34N4O — CID 57326686

IUPAC3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c(Oc2ccccc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C46H34N4O/c1-7-19-39-29(13-1)35(25-47-39)45(36-26-48-40-20-8-2-14-30(36)40)33-17-5-11-23-43(33)51-44-24-12-6-18-34(44)46(37-27-49-41-21-9-3-15-31(37)41)38-28-50-42-22-10-4-16-32(38)42/h1-28,45-50H
InChIKeyGQQMSDRSSGQOBY-UHFFFAOYSA-N
MW658.81 g/mol
LogP11.76
Rot. Bonds8

About 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole

3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 57326686) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID57326686
Molecular FormulaC46H34N4O
Molecular Weight658.81 g/mol
Exact Mass658.27
IUPAC Name3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c(Oc2ccccc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C46H34N4O/c1-7-19-39-29(13-1)35(25-47-39)45(36-26-48-40-20-8-2-14-30(36)40)33-17-5-11-23-43(33)51-44-24-12-6-18-34(44)46(37-27-49-41-21-9-3-15-31(37)41)38-28-50-42-22-10-4-16-32(38)42/h1-28,45-50H
InChIKeyGQQMSDRSSGQOBY-UHFFFAOYSA-N
XLogP11.76
TPSA72.39 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.81
LogP ≤ 511.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole (CID 57326686) is 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole is c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c(Oc2ccccc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is GQQMSDRSSGQOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O/c1-7-19-39-29(13-1)35(25-47-39)45(36-26-48-40-20-8-2-14-30(36)40)33-17-5-11-23-43(33)51-44-24-12-6-18-34(44)46(37-27-49-41-21-9-3-15-31(37)41)38-28-50-42-22-10-4-16-32(38)42/h1-28,45-50H.
What are the key properties of 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole?
3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 658.81 g/mol, XLogP of 11.76, 8 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-[bis(1H-indol-3-yl)methyl]phenoxy]phenyl]-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 57326686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).