1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]

C28H28N2 — CID 30979231

IUPAC1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]
SMILESCCn1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C28H28N2/c1-2-30-26-10-6-4-8-23(26)24-19-21(11-12-27(24)30)20-29-17-15-28(16-18-29)14-13-22-7-3-5-9-25(22)28/h3-14,19H,2,15-18,20H2,1H3
InChIKeyDJJUGAGBNLLTTH-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.38
Rot. Bonds3

About 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]

1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine] (PubChem CID 30979231) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]
PubChem CID30979231
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]
SMILESCCn1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21
InChIInChI=1S/C28H28N2/c1-2-30-26-10-6-4-8-23(26)24-19-21(11-12-27(24)30)20-29-17-15-28(16-18-29)14-13-22-7-3-5-9-25(22)28/h3-14,19H,2,15-18,20H2,1H3
InChIKeyDJJUGAGBNLLTTH-UHFFFAOYSA-N
XLogP6.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine] (CID 30979231) is 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine] is CCn1c2ccccc2c2cc(CN3CCC4(C=Cc5ccccc54)CC3)ccc21.
What is the InChIKey of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]?
The InChIKey is DJJUGAGBNLLTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-2-30-26-10-6-4-8-23(26)24-19-21(11-12-27(24)30)20-29-17-15-28(16-18-29)14-13-22-7-3-5-9-25(22)28/h3-14,19H,2,15-18,20H2,1H3.
What are the key properties of 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]?
1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine] has a molecular weight of 392.55 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(9-ethylcarbazol-3-yl)methyl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 30979231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).