3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole

C25H20N2 — CID 138614052

IUPAC3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole
SMILESC=C(/C=C\c1cn(C)c2ccccc12)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C25H20N2/c1-17(11-12-19-16-27(2)25-10-6-4-7-20(19)25)18-13-14-24-22(15-18)21-8-3-5-9-23(21)26-24/h3-16,26H,1H2,2H3/b12-11-
InChIKeyNQOFURSSNLYINV-QXMHVHEDSA-N
MW348.45 g/mol
LogP6.54
Rot. Bonds3

About 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole

3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole (PubChem CID 138614052) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole.

Molecular Properties

Compound Name3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole
PubChem CID138614052
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole
SMILESC=C(/C=C\c1cn(C)c2ccccc12)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C25H20N2/c1-17(11-12-19-16-27(2)25-10-6-4-7-20(19)25)18-13-14-24-22(15-18)21-8-3-5-9-23(21)26-24/h3-16,26H,1H2,2H3/b12-11-
InChIKeyNQOFURSSNLYINV-QXMHVHEDSA-N
XLogP6.54
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole?
The IUPAC name of 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole (CID 138614052) is 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole.
What is the SMILES notation for 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole?
The canonical SMILES for 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole is C=C(/C=C\c1cn(C)c2ccccc12)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole?
The InChIKey is NQOFURSSNLYINV-QXMHVHEDSA-N. The full InChI is InChI=1S/C25H20N2/c1-17(11-12-19-16-27(2)25-10-6-4-7-20(19)25)18-13-14-24-22(15-18)21-8-3-5-9-23(21)26-24/h3-16,26H,1H2,2H3/b12-11-.
What are the key properties of 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole?
3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole has a molecular weight of 348.45 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z)-4-(1-methylindol-3-yl)buta-1,3-dien-2-yl]-9H-carbazole is sourced from PubChem (CID 138614052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).