7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole

C25H23N — CID 69129788

IUPAC7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(CC3C=Cc4ccccc43)cc12
InChIInChI=1S/C25H23N/c1-14-11-23-22(24-16(3)15(2)17(4)25(24)26-23)13-20(14)12-19-10-9-18-7-5-6-8-21(18)19/h5-11,13,19H,12H2,1-4H3
InChIKeyPWYYLUSCLPMVAM-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.56
Rot. Bonds2

About 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole

7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole (PubChem CID 69129788) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole.

Molecular Properties

Compound Name7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole
PubChem CID69129788
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(CC3C=Cc4ccccc43)cc12
InChIInChI=1S/C25H23N/c1-14-11-23-22(24-16(3)15(2)17(4)25(24)26-23)13-20(14)12-19-10-9-18-7-5-6-8-21(18)19/h5-11,13,19H,12H2,1-4H3
InChIKeyPWYYLUSCLPMVAM-UHFFFAOYSA-N
XLogP6.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole?
The IUPAC name of 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole (CID 69129788) is 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole.
What is the SMILES notation for 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole?
The canonical SMILES for 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole is CC1=C(C)C(C)=C2C1=Nc1cc(C)c(CC3C=Cc4ccccc43)cc12.
What is the InChIKey of 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole?
The InChIKey is PWYYLUSCLPMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-14-11-23-22(24-16(3)15(2)17(4)25(24)26-23)13-20(14)12-19-10-9-18-7-5-6-8-21(18)19/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole?
7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole has a molecular weight of 337.47 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-inden-1-ylmethyl)-1,2,3,6-tetramethylcyclopenta[b]indole is sourced from PubChem (CID 69129788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).