3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole

C19H13ClN2 — CID 68627440

IUPAC3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole
SMILESClc1cnc2[nH]c3ccc(C=Cc4ccccc4)cc3c2c1
InChIInChI=1S/C19H13ClN2/c20-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)22-19(17)21-12-15/h1-12H,(H,21,22)
InChIKeyJDLYOLIEKOHUTB-UHFFFAOYSA-N
MW304.78 g/mol
LogP5.54
Rot. Bonds2

About 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole

3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole (PubChem CID 68627440) has the molecular formula C19H13ClN2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole
PubChem CID68627440
Molecular FormulaC19H13ClN2
Molecular Weight304.78 g/mol
Exact Mass304.08
IUPAC Name3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole
SMILESClc1cnc2[nH]c3ccc(C=Cc4ccccc4)cc3c2c1
InChIInChI=1S/C19H13ClN2/c20-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)22-19(17)21-12-15/h1-12H,(H,21,22)
InChIKeyJDLYOLIEKOHUTB-UHFFFAOYSA-N
XLogP5.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 55.54
H-Bond Donors ≤ 51
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 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole (CID 68627440) is 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole is Clc1cnc2[nH]c3ccc(C=Cc4ccccc4)cc3c2c1.
What is the InChIKey of 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole?
The InChIKey is JDLYOLIEKOHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2/c20-15-11-17-16-10-14(7-6-13-4-2-1-3-5-13)8-9-18(16)22-19(17)21-12-15/h1-12H,(H,21,22).
What are the key properties of 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole?
3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole has a molecular weight of 304.78 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 68627440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).