1-butan-2-yl-2-naphthalen-2-ylindole

C22H21N — CID 118005819

IUPAC1-butan-2-yl-2-naphthalen-2-ylindole
SMILESCCC(C)n1c(-c2ccc3ccccc3c2)cc2ccccc21
InChIInChI=1S/C22H21N/c1-3-16(2)23-21-11-7-6-10-19(21)15-22(23)20-13-12-17-8-4-5-9-18(17)14-20/h4-16H,3H2,1-2H3
InChIKeyFBYGSXZORXVWAH-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.43
Rot. Bonds3

About 1-butan-2-yl-2-naphthalen-2-ylindole

1-butan-2-yl-2-naphthalen-2-ylindole (PubChem CID 118005819) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-butan-2-yl-2-naphthalen-2-ylindole.

Molecular Properties

Compound Name1-butan-2-yl-2-naphthalen-2-ylindole
PubChem CID118005819
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name1-butan-2-yl-2-naphthalen-2-ylindole
SMILESCCC(C)n1c(-c2ccc3ccccc3c2)cc2ccccc21
InChIInChI=1S/C22H21N/c1-3-16(2)23-21-11-7-6-10-19(21)15-22(23)20-13-12-17-8-4-5-9-18(17)14-20/h4-16H,3H2,1-2H3
InChIKeyFBYGSXZORXVWAH-UHFFFAOYSA-N
XLogP6.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;9-butan-2-ylcarbazole;2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;9,10-dinaphthalen-2-ylanthracene;phosphanide;vanadium
CID 157215207
4-(2-naphthalen-2-ylindol-1-yl)butan-2-one
CID 11370420
9-butan-2-yl-3-[3-(4-propan-2-ylphenyl)phenyl]carbazole
CID 167189366
ethane;1-propan-2-yl-2-pyridin-3-ylindole
CID 161108582
1-[(2S)-butan-2-yl]indole
CID 124507288
2-(1-hydroxypyridin-1-ium-3-yl)-1-propan-2-ylindole
CID 146605291
potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
2-(4-propan-2-ylphenyl)-1-prop-2-ynylindole
CID 170136019
10-propylacridin-3-one
CID 158430562
1-(1-methoxypropan-2-yl)-2-methylindole
CID 70527172
2-methyl-4-(2-phenylbenzo[e]indol-3-yl)pentane-1,1-diol
CID 143214819
(1-propan-2-ylindol-2-yl)methanethiol
CID 117174071

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-naphthalen-2-ylindole?
The IUPAC name of 1-butan-2-yl-2-naphthalen-2-ylindole (CID 118005819) is 1-butan-2-yl-2-naphthalen-2-ylindole.
What is the SMILES notation for 1-butan-2-yl-2-naphthalen-2-ylindole?
The canonical SMILES for 1-butan-2-yl-2-naphthalen-2-ylindole is CCC(C)n1c(-c2ccc3ccccc3c2)cc2ccccc21.
What is the InChIKey of 1-butan-2-yl-2-naphthalen-2-ylindole?
The InChIKey is FBYGSXZORXVWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-3-16(2)23-21-11-7-6-10-19(21)15-22(23)20-13-12-17-8-4-5-9-18(17)14-20/h4-16H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-2-naphthalen-2-ylindole?
1-butan-2-yl-2-naphthalen-2-ylindole has a molecular weight of 299.42 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-naphthalen-2-ylindole is sourced from PubChem (CID 118005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).