7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole

C28H27N — CID 69130184

IUPAC7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole
SMILESCC1=C(C)C(c2ccccc2)=C2C1=Nc1cc(C)c(C(C)(C)C3=CC=CC3)cc12
InChIInChI=1S/C28H27N/c1-17-15-24-22(16-23(17)28(4,5)21-13-9-10-14-21)26-25(20-11-7-6-8-12-20)18(2)19(3)27(26)29-24/h6-13,15-16H,14H2,1-5H3
InChIKeyNJAODTWHYNIYLD-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.51
Rot. Bonds3

About 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole

7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole (PubChem CID 69130184) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole.

Molecular Properties

Compound Name7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole
PubChem CID69130184
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole
SMILESCC1=C(C)C(c2ccccc2)=C2C1=Nc1cc(C)c(C(C)(C)C3=CC=CC3)cc12
InChIInChI=1S/C28H27N/c1-17-15-24-22(16-23(17)28(4,5)21-13-9-10-14-21)26-25(20-11-7-6-8-12-20)18(2)19(3)27(26)29-24/h6-13,15-16H,14H2,1-5H3
InChIKeyNJAODTWHYNIYLD-UHFFFAOYSA-N
XLogP7.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole?
The IUPAC name of 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole (CID 69130184) is 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole.
What is the SMILES notation for 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole?
The canonical SMILES for 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole is CC1=C(C)C(c2ccccc2)=C2C1=Nc1cc(C)c(C(C)(C)C3=CC=CC3)cc12.
What is the InChIKey of 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole?
The InChIKey is NJAODTWHYNIYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-17-15-24-22(16-23(17)28(4,5)21-13-9-10-14-21)26-25(20-11-7-6-8-12-20)18(2)19(3)27(26)29-24/h6-13,15-16H,14H2,1-5H3.
What are the key properties of 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole?
7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole has a molecular weight of 377.53 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole is sourced from PubChem (CID 69130184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).