3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C33H32N2O — CID 3673342

IUPAC3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCCCCOc1ccc2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C33H32N2O/c1-4-5-20-36-29-19-18-23-12-6-7-13-24(23)32(29)33(30-21(2)34-27-16-10-8-14-25(27)30)31-22(3)35-28-17-11-9-15-26(28)31/h6-19,33-35H,4-5,20H2,1-3H3
InChIKeyABBUNXHEZGWDIS-UHFFFAOYSA-N
MW472.63 g/mol
LogP8.78
Rot. Bonds7

About 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 3673342) has the molecular formula C33H32N2O and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID3673342
Molecular FormulaC33H32N2O
Molecular Weight472.63 g/mol
Exact Mass472.25
IUPAC Name3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCCCCOc1ccc2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C33H32N2O/c1-4-5-20-36-29-19-18-23-12-6-7-13-24(23)32(29)33(30-21(2)34-27-16-10-8-14-25(27)30)31-22(3)35-28-17-11-9-15-26(28)31/h6-19,33-35H,4-5,20H2,1-3H3
InChIKeyABBUNXHEZGWDIS-UHFFFAOYSA-N
XLogP8.78
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 58.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-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

2-methyl-3-[(2-methyl-1H-indol-3-yl)-naphthalen-1-ylmethyl]-1H-indole
CID 2849002
4-[(2-ethoxynaphthalen-1-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one;hydrochloride
CID 163329186
1,4-dibutoxynaphthalene
CID 22016411
(1R)-1-(2-ethoxynaphthalen-1-yl)pentan-1-amine
CID 171213385
1-butoxynaphthalene
CID 13262700
1-(chloromethyl)-2-heptoxynaphthalene
CID 43505662
1-bromo-2-nonoxynaphthalene
CID 63529773
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646
4-[(2-methoxynaphthalen-1-yl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 2912606
1,4-didodecoxynaphthalene
CID 21304164
(2-butoxynaphthalen-1-yl)-trifluoroboranuide
CID 63677253

Frequently Asked Questions

What is the IUPAC name of 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 3673342) is 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is CCCCOc1ccc2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is ABBUNXHEZGWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O/c1-4-5-20-36-29-19-18-23-12-6-7-13-24(23)32(29)33(30-21(2)34-27-16-10-8-14-25(27)30)31-22(3)35-28-17-11-9-15-26(28)31/h6-19,33-35H,4-5,20H2,1-3H3.
What are the key properties of 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 472.63 g/mol, XLogP of 8.78, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butoxynaphthalen-1-yl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 3673342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).