3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole

C61H48N4O2 — CID 139225224

IUPAC3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(COc2ccc(Cc3ccc(OCc4ccccc4)c(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)c3)cc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C61H48N4O2/c1-3-15-40(16-4-1)38-66-58-29-27-42(32-48(58)60(50-34-62-54-23-11-7-19-44(50)54)51-35-63-55-24-12-8-20-45(51)55)31-43-28-30-59(67-39-41-17-5-2-6-18-41)49(33-43)61(52-36-64-56-25-13-9-21-46(52)56)53-37-65-57-26-14-10-22-47(53)57/h1-30,32-37,60-65H,31,38-39H2
InChIKeyQXIYUEQZOFWGEY-UHFFFAOYSA-N
MW869.08 g/mol
LogP14.72
Rot. Bonds14

About 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole

3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 139225224) has the molecular formula C61H48N4O2 and a molecular weight of 869.08 g/mol. Its IUPAC name is 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID139225224
Molecular FormulaC61H48N4O2
Molecular Weight869.08 g/mol
Exact Mass868.38
IUPAC Name3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole
SMILESc1ccc(COc2ccc(Cc3ccc(OCc4ccccc4)c(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)c3)cc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C61H48N4O2/c1-3-15-40(16-4-1)38-66-58-29-27-42(32-48(58)60(50-34-62-54-23-11-7-19-44(50)54)51-35-63-55-24-12-8-20-45(51)55)31-43-28-30-59(67-39-41-17-5-2-6-18-41)49(33-43)61(52-36-64-56-25-13-9-21-46(52)56)53-37-65-57-26-14-10-22-47(53)57/h1-30,32-37,60-65H,31,38-39H2
InChIKeyQXIYUEQZOFWGEY-UHFFFAOYSA-N
XLogP14.72
TPSA81.62 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 514.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(R)-(5-bromo-2-phenylmethoxyphenyl)-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126124617
5-[(S)-(3-ethoxy-4-phenylmethoxyphenyl)-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126123889
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
5-[(R)-[2-[(4-chlorophenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126128110
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylethanamine
CID 62073023
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
CID 172802479
2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid
CID 2907269
5-[(S)-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126119871
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17294634
5-[(S)-[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-(1H-indol-3-yl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 126117440
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole (CID 139225224) is 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole is c1ccc(COc2ccc(Cc3ccc(OCc4ccccc4)c(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)c3)cc2C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is QXIYUEQZOFWGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N4O2/c1-3-15-40(16-4-1)38-66-58-29-27-42(32-48(58)60(50-34-62-54-23-11-7-19-44(50)54)51-35-63-55-24-12-8-20-45(51)55)31-43-28-30-59(67-39-41-17-5-2-6-18-41)49(33-43)61(52-36-64-56-25-13-9-21-46(52)56)53-37-65-57-26-14-10-22-47(53)57/h1-30,32-37,60-65H,31,38-39H2.
What are the key properties of 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole?
3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 869.08 g/mol, XLogP of 14.72, 14 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[3-[bis(1H-indol-3-yl)methyl]-4-phenylmethoxyphenyl]methyl]-2-phenylmethoxyphenyl]-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 139225224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).