1,4-di(carbazol-9-yl)butan-2-ol

C28H24N2O — CID 70692714

IUPAC1,4-di(carbazol-9-yl)butan-2-ol
SMILESOC(CCn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24N2O/c31-20(19-30-27-15-7-3-11-23(27)24-12-4-8-16-28(24)30)17-18-29-25-13-5-1-9-21(25)22-10-2-6-14-26(22)29/h1-16,20,31H,17-19H2
InChIKeyCDMWFSVDIMSKDS-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.35
Rot. Bonds5

About 1,4-di(carbazol-9-yl)butan-2-ol

1,4-di(carbazol-9-yl)butan-2-ol (PubChem CID 70692714) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 1,4-di(carbazol-9-yl)butan-2-ol.

Molecular Properties

Compound Name1,4-di(carbazol-9-yl)butan-2-ol
PubChem CID70692714
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name1,4-di(carbazol-9-yl)butan-2-ol
SMILESOC(CCn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C28H24N2O/c31-20(19-30-27-15-7-3-11-23(27)24-12-4-8-16-28(24)30)17-18-29-25-13-5-1-9-21(25)22-10-2-6-14-26(22)29/h1-16,20,31H,17-19H2
InChIKeyCDMWFSVDIMSKDS-UHFFFAOYSA-N
XLogP6.35
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(carbazol-9-yl)butan-2-ol?
The IUPAC name of 1,4-di(carbazol-9-yl)butan-2-ol (CID 70692714) is 1,4-di(carbazol-9-yl)butan-2-ol.
What is the SMILES notation for 1,4-di(carbazol-9-yl)butan-2-ol?
The canonical SMILES for 1,4-di(carbazol-9-yl)butan-2-ol is OC(CCn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1,4-di(carbazol-9-yl)butan-2-ol?
The InChIKey is CDMWFSVDIMSKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c31-20(19-30-27-15-7-3-11-23(27)24-12-4-8-16-28(24)30)17-18-29-25-13-5-1-9-21(25)22-10-2-6-14-26(22)29/h1-16,20,31H,17-19H2.
What are the key properties of 1,4-di(carbazol-9-yl)butan-2-ol?
1,4-di(carbazol-9-yl)butan-2-ol has a molecular weight of 404.51 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(carbazol-9-yl)butan-2-ol is sourced from PubChem (CID 70692714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).