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

C26H25N — CID 89473030

IUPAC7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H25N/c1-19-10-17-26-24(18-19)23-8-5-9-25(23)27(26)22-15-13-21(14-16-22)12-11-20-6-3-2-4-7-20/h2-4,6-7,10-18,23,25H,5,8-9H2,1H3/b12-11+
InChIKeySWDFDFFPPPIFLC-VAWYXSNFSA-N
MW351.49 g/mol
LogP6.95
Rot. Bonds3

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

7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (PubChem CID 89473030) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.

Molecular Properties

Compound Name7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
PubChem CID89473030
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole
SMILESCc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H25N/c1-19-10-17-26-24(18-19)23-8-5-9-25(23)27(26)22-15-13-21(14-16-22)12-11-20-6-3-2-4-7-20/h2-4,6-7,10-18,23,25H,5,8-9H2,1H3/b12-11+
InChIKeySWDFDFFPPPIFLC-VAWYXSNFSA-N
XLogP6.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.95
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-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The IUPAC name of 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole (CID 89473030) is 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole.
What is the SMILES notation for 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The canonical SMILES for 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is Cc1ccc2c(c1)C1CCCC1N2c1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
The InChIKey is SWDFDFFPPPIFLC-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H25N/c1-19-10-17-26-24(18-19)23-8-5-9-25(23)27(26)22-15-13-21(14-16-22)12-11-20-6-3-2-4-7-20/h2-4,6-7,10-18,23,25H,5,8-9H2,1H3/b12-11+.
What are the key properties of 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole?
7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole has a molecular weight of 351.49 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-[(E)-2-phenylethenyl]phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole is sourced from PubChem (CID 89473030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).