7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

C27H27N — CID 89009135

IUPAC7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCCc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H27N/c1-2-20-15-18-27-25(19-20)24-9-6-10-26(24)28(27)23-16-13-22(14-17-23)12-11-21-7-4-3-5-8-21/h3-5,7-8,11-19,24,26H,2,6,9-10H2,1H3/b12-11+
InChIKeyCBZXINBFHSLENC-VAWYXSNFSA-N
MW365.52 g/mol
LogP7.21
Rot. Bonds4

About 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole

7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (PubChem CID 89009135) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
PubChem CID89009135
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCCc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C27H27N/c1-2-20-15-18-27-25(19-20)24-9-6-10-26(24)28(27)23-16-13-22(14-17-23)12-11-21-7-4-3-5-8-21/h3-5,7-8,11-19,24,26H,2,6,9-10H2,1H3/b12-11+
InChIKeyCBZXINBFHSLENC-VAWYXSNFSA-N
XLogP7.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The IUPAC name of 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (CID 89009135) is 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The canonical SMILES for 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is CCc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The InChIKey is CBZXINBFHSLENC-VAWYXSNFSA-N. The full InChI is InChI=1S/C27H27N/c1-2-20-15-18-27-25(19-20)24-9-6-10-26(24)28(27)23-16-13-22(14-17-23)12-11-21-7-4-3-5-8-21/h3-5,7-8,11-19,24,26H,2,6,9-10H2,1H3/b12-11+.
What are the key properties of 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole has a molecular weight of 365.52 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 89009135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).