2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole

C25H23N — CID 152971116

IUPAC2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole
SMILESCc1ccc(N2C(c3cccc4c3C=CCC4)=CC3=CC=CCC32)cc1
InChIInChI=1S/C25H23N/c1-18-13-15-21(16-14-18)26-24-12-5-3-8-20(24)17-25(26)23-11-6-9-19-7-2-4-10-22(19)23/h3-6,8-11,13-17,24H,2,7,12H2,1H3
InChIKeyUSMUALDEXYPACB-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.07
Rot. Bonds2

About 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole

2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole (PubChem CID 152971116) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole.

Molecular Properties

Compound Name2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole
PubChem CID152971116
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole
SMILESCc1ccc(N2C(c3cccc4c3C=CCC4)=CC3=CC=CCC32)cc1
InChIInChI=1S/C25H23N/c1-18-13-15-21(16-14-18)26-24-12-5-3-8-20(24)17-25(26)23-11-6-9-19-7-2-4-10-22(19)23/h3-6,8-11,13-17,24H,2,7,12H2,1H3
InChIKeyUSMUALDEXYPACB-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-(5,6-dihydronaphthalen-1-yl)-1-N-methyl-1-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 143685003
6-[4-methyl-3-(2-methylphenyl)phenyl]-9-(4-phenylphenyl)-1,9a-dihydrocarbazole
CID 167230365
8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
CID 90847264
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390533
3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide
CID 151770985
8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;dimethylsilane;methane
CID 157326875
1-methyl-7,7a-dihydroindole
CID 149248869
1,2-dihydronaphthalene
CID 9938
1,2-dihydronaphthalene
CID 161389674
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 151165666
11-[4-[4-(10,10a-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]cyclohexa-2,4-dien-1-yl]benzo[b][1]benzazepine;ethane
CID 144899085

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole?
The IUPAC name of 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole (CID 152971116) is 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole.
What is the SMILES notation for 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole?
The canonical SMILES for 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole is Cc1ccc(N2C(c3cccc4c3C=CCC4)=CC3=CC=CCC32)cc1.
What is the InChIKey of 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole?
The InChIKey is USMUALDEXYPACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-18-13-15-21(16-14-18)26-24-12-5-3-8-20(24)17-25(26)23-11-6-9-19-7-2-4-10-22(19)23/h3-6,8-11,13-17,24H,2,7,12H2,1H3.
What are the key properties of 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole?
2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole has a molecular weight of 337.47 g/mol, XLogP of 6.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole is sourced from PubChem (CID 152971116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).