3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole

C26H21NO2 — CID 175794186

IUPAC3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole
SMILESCOc1ccc(-n2c(-c3ccc4ccccc4c3)c(OC)c3ccccc32)cc1
InChIInChI=1S/C26H21NO2/c1-28-22-15-13-21(14-16-22)27-24-10-6-5-9-23(24)26(29-2)25(27)20-12-11-18-7-3-4-8-19(18)17-20/h3-17H,1-2H3
InChIKeyQCHYCJPBYNETNO-UHFFFAOYSA-N
MW379.46 g/mol
LogP6.47
Rot. Bonds4

About 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole

3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole (PubChem CID 175794186) has the molecular formula C26H21NO2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole
PubChem CID175794186
Molecular FormulaC26H21NO2
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole
SMILESCOc1ccc(-n2c(-c3ccc4ccccc4c3)c(OC)c3ccccc32)cc1
InChIInChI=1S/C26H21NO2/c1-28-22-15-13-21(14-16-22)27-24-10-6-5-9-23(24)26(29-2)25(27)20-12-11-18-7-3-4-8-19(18)17-20/h3-17H,1-2H3
InChIKeyQCHYCJPBYNETNO-UHFFFAOYSA-N
XLogP6.47
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
9-[4-(2,3-dinaphthalen-2-yl-1-phenylindol-6-yl)phenyl]carbazole
CID 118459339
1-(4-methoxyphenyl)-2-methyl-3-phenylindole
CID 102459165
12-(4-methoxyphenyl)-17-phenyl-17-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 90310220
9-[4-(6-phenylnaphthalen-2-yl)phenyl]carbazole
CID 58971457
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole?
The IUPAC name of 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole (CID 175794186) is 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole.
What is the SMILES notation for 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole?
The canonical SMILES for 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole is COc1ccc(-n2c(-c3ccc4ccccc4c3)c(OC)c3ccccc32)cc1.
What is the InChIKey of 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole?
The InChIKey is QCHYCJPBYNETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2/c1-28-22-15-13-21(14-16-22)27-24-10-6-5-9-23(24)26(29-2)25(27)20-12-11-18-7-3-4-8-19(18)17-20/h3-17H,1-2H3.
What are the key properties of 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole?
3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole has a molecular weight of 379.46 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxyphenyl)-2-naphthalen-2-ylindole is sourced from PubChem (CID 175794186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).