6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole

C26H20N2O — CID 135059958

IUPAC6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3[nH]c4nccc(/C=C/c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C26H20N2O/c1-29-22-12-9-19(10-13-22)21-11-14-24-23(17-21)25-20(15-16-27-26(25)28-24)8-7-18-5-3-2-4-6-18/h2-17H,1H3,(H,27,28)/b8-7+
InChIKeyUOACLEDRUIIESO-BQYQJAHWSA-N
MW376.46 g/mol
LogP6.56
Rot. Bonds4

About 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole

6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole (PubChem CID 135059958) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole
PubChem CID135059958
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole
SMILESCOc1ccc(-c2ccc3[nH]c4nccc(/C=C/c5ccccc5)c4c3c2)cc1
InChIInChI=1S/C26H20N2O/c1-29-22-12-9-19(10-13-22)21-11-14-24-23(17-21)25-20(15-16-27-26(25)28-24)8-7-18-5-3-2-4-6-18/h2-17H,1H3,(H,27,28)/b8-7+
InChIKeyUOACLEDRUIIESO-BQYQJAHWSA-N
XLogP6.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole?
The IUPAC name of 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole (CID 135059958) is 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole?
The canonical SMILES for 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole is COc1ccc(-c2ccc3[nH]c4nccc(/C=C/c5ccccc5)c4c3c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole?
The InChIKey is UOACLEDRUIIESO-BQYQJAHWSA-N. The full InChI is InChI=1S/C26H20N2O/c1-29-22-12-9-19(10-13-22)21-11-14-24-23(17-21)25-20(15-16-27-26(25)28-24)8-7-18-5-3-2-4-6-18/h2-17H,1H3,(H,27,28)/b8-7+.
What are the key properties of 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole?
6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole has a molecular weight of 376.46 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 135059958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).