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

C27H27N — CID 69151065

IUPAC7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)C3=Cc4ccccc4C3)cc12
InChIInChI=1S/C27H27N/c1-15-11-24-22(25-17(3)16(2)18(4)26(25)28-24)14-23(15)27(5,6)21-12-19-9-7-8-10-20(19)13-21/h7-12,14H,13H2,1-6H3
InChIKeyWAXPTVGZKKQMKO-UHFFFAOYSA-N
MW365.52 g/mol
LogP7.12
Rot. Bonds2

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

7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole (PubChem CID 69151065) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole.

Molecular Properties

Compound Name7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole
PubChem CID69151065
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole
SMILESCC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)C3=Cc4ccccc4C3)cc12
InChIInChI=1S/C27H27N/c1-15-11-24-22(25-17(3)16(2)18(4)26(25)28-24)14-23(15)27(5,6)21-12-19-9-7-8-10-20(19)13-21/h7-12,14H,13H2,1-6H3
InChIKeyWAXPTVGZKKQMKO-UHFFFAOYSA-N
XLogP7.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole?
The IUPAC name of 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole (CID 69151065) is 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole.
What is the SMILES notation for 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole?
The canonical SMILES for 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole is CC1=C(C)C(C)=C2C1=Nc1cc(C)c(C(C)(C)C3=Cc4ccccc4C3)cc12.
What is the InChIKey of 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole?
The InChIKey is WAXPTVGZKKQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-15-11-24-22(25-17(3)16(2)18(4)26(25)28-24)14-23(15)27(5,6)21-12-19-9-7-8-10-20(19)13-21/h7-12,14H,13H2,1-6H3.
What are the key properties of 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole?
7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole has a molecular weight of 365.52 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole is sourced from PubChem (CID 69151065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).