1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol

C33H33N3O2 — CID 69234385

IUPAC1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)CN1CC2C/C=C\CC1CN2c1ccc2ccccc2c1
InChIInChI=1S/C33H33N3O2/c37-28(22-38-32-15-7-14-31-33(32)29-12-5-6-13-30(29)34-31)21-35-19-27-11-4-3-10-26(35)20-36(27)25-17-16-23-8-1-2-9-24(23)18-25/h1-9,12-18,26-28,34,37H,10-11,19-22H2/b4-3-
InChIKeyGCJWGCQVTIYNMT-ARJAWSKDSA-N
MW503.65 g/mol
LogP6.12
Rot. Bonds6

About 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol (PubChem CID 69234385) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol
PubChem CID69234385
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)CN1CC2C/C=C\CC1CN2c1ccc2ccccc2c1
InChIInChI=1S/C33H33N3O2/c37-28(22-38-32-15-7-14-31-33(32)29-12-5-6-13-30(29)34-31)21-35-19-27-11-4-3-10-26(35)20-36(27)25-17-16-23-8-1-2-9-24(23)18-25/h1-9,12-18,26-28,34,37H,10-11,19-22H2/b4-3-
InChIKeyGCJWGCQVTIYNMT-ARJAWSKDSA-N
XLogP6.12
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol with MolForge

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Related Compounds

methyl 4-[(2S)-2-hydroxy-3-[(1S,6S)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propoxy]-1H-indole-2-carboxylate
CID 90732680
(2S)-1-(1-methylindol-4-yl)oxy-3-[(1S,3Z,6S)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol;sulfane
CID 158236784
1-[(7-chloro-2-methyl-1H-indol-4-yl)oxy]-3-(9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl)propan-2-ol
CID 69230495
2-hydroxy-1-[4-[(2S)-2-hydroxy-3-[(1S,6S)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propoxy]-6-methoxy-1H-indol-2-yl]ethanone
CID 123382456
(2S)-1-[(1S,3Z,6S)-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 59686800
(2S)-1-(1H-indol-4-yloxy)-3-[(1S,3Z,6S)-9-(naphthalen-2-ylmethyl)-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol
CID 24874806
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1-[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-4-(2,3,4,5,6-pentafluorophenyl)piperazin-2-yl]ethanone
CID 16730966
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol (CID 69234385) is 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol is OC(COc1cccc2[nH]c3ccccc3c12)CN1CC2C/C=C\CC1CN2c1ccc2ccccc2c1.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol?
The InChIKey is GCJWGCQVTIYNMT-ARJAWSKDSA-N. The full InChI is InChI=1S/C33H33N3O2/c37-28(22-38-32-15-7-14-31-33(32)29-12-5-6-13-30(29)34-31)21-35-19-27-11-4-3-10-26(35)20-36(27)25-17-16-23-8-1-2-9-24(23)18-25/h1-9,12-18,26-28,34,37H,10-11,19-22H2/b4-3-.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol has a molecular weight of 503.65 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[(3Z)-9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl]propan-2-ol is sourced from PubChem (CID 69234385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).