2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole

C23H18N2 — CID 122628095

IUPAC2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
SMILESC(=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1)\c1ccccc1
InChIInChI=1S/C23H18N2/c1-2-6-18(7-3-1)11-13-23-21(12-10-19-14-16-24-17-15-19)20-8-4-5-9-22(20)25-23/h1-17,25H/b12-10+,13-11+
InChIKeyZOTFKNPRGOPUTB-DCIPZJNNSA-N
MW322.41 g/mol
LogP5.90
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole

2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole (PubChem CID 122628095) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
PubChem CID122628095
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
SMILESC(=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1)\c1ccccc1
InChIInChI=1S/C23H18N2/c1-2-6-18(7-3-1)11-13-23-21(12-10-19-14-16-24-17-15-19)20-8-4-5-9-22(20)25-23/h1-17,25H/b12-10+,13-11+
InChIKeyZOTFKNPRGOPUTB-DCIPZJNNSA-N
XLogP5.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-2-[(E)-2-phenylethenyl]-1H-indole
CID 122628074
2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole
CID 122630227
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
CID 122647787
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
2-[(E)-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1H-indol-3-yl]ethenyl]-1,3-thiazole
CID 122628108
2-[(E)-2-(5-methyl-2-pyridinyl)ethenyl]-3-[(E)-2-pyrimidin-4-ylethenyl]-1H-indole
CID 163972973
2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole
CID 122628076
3-chloro-2-(2-phenylethenyl)-1H-quinolin-4-one
CID 91989561
phenyl-[2-[(E)-2-phenylethenyl]-1H-indol-3-yl]methanone
CID 10314121
3-acetyl-4-[(E)-2-phenylethenyl]-1H-quinolin-2-one
CID 162395799
4-[(E)-2-[3-[(E)-2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethenyl]-1H-indol-2-yl]ethenyl]phenol
CID 163781025
ethyl 2-[(E)-2-phenylethenyl]-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
CID 46867743

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole (CID 122628095) is 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole is C(=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
The InChIKey is ZOTFKNPRGOPUTB-DCIPZJNNSA-N. The full InChI is InChI=1S/C23H18N2/c1-2-6-18(7-3-1)11-13-23-21(12-10-19-14-16-24-17-15-19)20-8-4-5-9-22(20)25-23/h1-17,25H/b12-10+,13-11+.
What are the key properties of 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole?
2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole has a molecular weight of 322.41 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole is sourced from PubChem (CID 122628095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).