7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole

C25H28N2O — CID 13491216

IUPAC7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2c3c([nH]c2c1)CCC(CN1CC=C(c2ccccc2)CC1)C3
InChIInChI=1S/C25H28N2O/c1-28-21-8-9-22-23-15-18(7-10-24(23)26-25(22)16-21)17-27-13-11-20(12-14-27)19-5-3-2-4-6-19/h2-6,8-9,11,16,18,26H,7,10,12-15,17H2,1H3
InChIKeyDAKHDSORNOHKGE-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.07
Rot. Bonds4

About 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole

7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 13491216) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID13491216
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1ccc2c3c([nH]c2c1)CCC(CN1CC=C(c2ccccc2)CC1)C3
InChIInChI=1S/C25H28N2O/c1-28-21-8-9-22-23-15-18(7-10-24(23)26-25(22)16-21)17-27-13-11-20(12-14-27)19-5-3-2-4-6-19/h2-6,8-9,11,16,18,26H,7,10,12-15,17H2,1H3
InChIKeyDAKHDSORNOHKGE-UHFFFAOYSA-N
XLogP5.07
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole (CID 13491216) is 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole is COc1ccc2c3c([nH]c2c1)CCC(CN1CC=C(c2ccccc2)CC1)C3.
What is the InChIKey of 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is DAKHDSORNOHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-28-21-8-9-22-23-15-18(7-10-24(23)26-25(22)16-21)17-27-13-11-20(12-14-27)19-5-3-2-4-6-19/h2-6,8-9,11,16,18,26H,7,10,12-15,17H2,1H3.
What are the key properties of 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole?
7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 372.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 13491216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).