3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole

C28H22N2O — CID 4200527

IUPAC3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C28H22N2O/c1-31-27-15-14-22(18-8-2-3-11-21(18)27)28(23-16-29-25-12-6-4-9-19(23)25)24-17-30-26-13-7-5-10-20(24)26/h2-17,28-30H,1H3
InChIKeyRXFFGLRJRZDZOL-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.99
Rot. Bonds4

About 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole

3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole (PubChem CID 4200527) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
PubChem CID4200527
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C28H22N2O/c1-31-27-15-14-22(18-8-2-3-11-21(18)27)28(23-16-29-25-12-6-4-9-19(23)25)24-17-30-26-13-7-5-10-20(24)26/h2-17,28-30H,1H3
InChIKeyRXFFGLRJRZDZOL-UHFFFAOYSA-N
XLogP6.99
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-propan-2-yl-1H-indole
CID 12534824
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
CID 7061229
3-[chloro(methoxy)methyl]-1H-indole
CID 67187607
2-[2-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]-4,5-dimethoxyphenyl]ethanol
CID 102203268
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
3-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-1H-indole
CID 102365176
(2-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150768
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole (CID 4200527) is 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole is COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole?
The InChIKey is RXFFGLRJRZDZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-31-27-15-14-22(18-8-2-3-11-21(18)27)28(23-16-29-25-12-6-4-9-19(23)25)24-17-30-26-13-7-5-10-20(24)26/h2-17,28-30H,1H3.
What are the key properties of 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole?
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole has a molecular weight of 402.50 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole is sourced from PubChem (CID 4200527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).