1,3-bis(9H-carbazol-4-yloxy)propan-2-ol

C27H22N2O3 — CID 71314054

IUPAC1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C27H22N2O3/c30-17(15-31-24-13-5-11-22-26(24)18-7-1-3-9-20(18)28-22)16-32-25-14-6-12-23-27(25)19-8-2-4-10-21(19)29-23/h1-14,17,28-30H,15-16H2
InChIKeyQYSFAJDXMJPYOM-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.77
Rot. Bonds6

About 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol

1,3-bis(9H-carbazol-4-yloxy)propan-2-ol (PubChem CID 71314054) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
PubChem CID71314054
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C27H22N2O3/c30-17(15-31-24-13-5-11-22-26(24)18-7-1-3-9-20(18)28-22)16-32-25-14-6-12-23-27(25)19-8-2-4-10-21(19)29-23/h1-14,17,28-30H,15-16H2
InChIKeyQYSFAJDXMJPYOM-UHFFFAOYSA-N
XLogP5.77
TPSA70.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol?
The IUPAC name of 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol (CID 71314054) is 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol?
The canonical SMILES for 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol is OC(COc1cccc2[nH]c3ccccc3c12)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol?
The InChIKey is QYSFAJDXMJPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-17(15-31-24-13-5-11-22-26(24)18-7-1-3-9-20(18)28-22)16-32-25-14-6-12-23-27(25)19-8-2-4-10-21(19)29-23/h1-14,17,28-30H,15-16H2.
What are the key properties of 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol?
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol has a molecular weight of 422.48 g/mol, XLogP of 5.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(9H-carbazol-4-yloxy)propan-2-ol is sourced from PubChem (CID 71314054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).