1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol

C42H35N3O2 — CID 3610728

IUPAC1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
SMILESOC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C42H35N3O2/c46-29(25-43-37-19-7-1-13-31(37)32-14-2-8-20-38(32)43)28-47-30(26-44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45/h1-24,29-30,46H,25-28H2
InChIKeyFJVKZBBYBWEAGF-UHFFFAOYSA-N
MW613.76 g/mol
LogP9.16
Rot. Bonds9

About 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol

1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol (PubChem CID 3610728) has the molecular formula C42H35N3O2 and a molecular weight of 613.76 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
PubChem CID3610728
Molecular FormulaC42H35N3O2
Molecular Weight613.76 g/mol
Exact Mass613.27
IUPAC Name1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
SMILESOC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C42H35N3O2/c46-29(25-43-37-19-7-1-13-31(37)32-14-2-8-20-38(32)43)28-47-30(26-44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45/h1-24,29-30,46H,25-28H2
InChIKeyFJVKZBBYBWEAGF-UHFFFAOYSA-N
XLogP9.16
TPSA44.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol with MolForge

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Related Compounds

[1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-yl] acetate
CID 102420376
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2S)-1-butoxy-3-carbazol-9-ylpropan-2-ol
CID 2053269
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
2-(3-carbazol-9-yl-2-hydroxypropyl)isoindole-1,3-dione
CID 2851792
2-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]isoindole-1,3-dione
CID 991448
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
CID 2136203

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol (CID 3610728) is 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol is OC(COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol?
The InChIKey is FJVKZBBYBWEAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3O2/c46-29(25-43-37-19-7-1-13-31(37)32-14-2-8-20-38(32)43)28-47-30(26-44-39-21-9-3-15-33(39)34-16-4-10-22-40(34)44)27-45-41-23-11-5-17-35(41)36-18-6-12-24-42(36)45/h1-24,29-30,46H,25-28H2.
What are the key properties of 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol?
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol has a molecular weight of 613.76 g/mol, XLogP of 9.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 3610728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).