1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

C27H20Br2N2O — CID 46851208

IUPAC1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c2ccccc2c2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C27H20Br2N2O/c28-17-9-11-26-22(13-17)23-14-18(29)10-12-27(23)31(26)16-19(32)15-30-24-7-3-1-5-20(24)21-6-2-4-8-25(21)30/h1-14,19,32H,15-16H2
InChIKeyXQJGVTRWLPWUEB-UHFFFAOYSA-N
MW548.28 g/mol
LogP7.49
Rot. Bonds4

About 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol

1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (PubChem CID 46851208) has the molecular formula C27H20Br2N2O and a molecular weight of 548.28 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
PubChem CID46851208
Molecular FormulaC27H20Br2N2O
Molecular Weight548.28 g/mol
Exact Mass545.99
IUPAC Name1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SMILESOC(Cn1c2ccccc2c2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C27H20Br2N2O/c28-17-9-11-26-22(13-17)23-14-18(29)10-12-27(23)31(26)16-19(32)15-30-24-7-3-1-5-20(24)21-6-2-4-8-25(21)30/h1-14,19,32H,15-16H2
InChIKeyXQJGVTRWLPWUEB-UHFFFAOYSA-N
XLogP7.49
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol (CID 46851208) is 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is OC(Cn1c2ccccc2c2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
The InChIKey is XQJGVTRWLPWUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Br2N2O/c28-17-9-11-26-22(13-17)23-14-18(29)10-12-27(23)31(26)16-19(32)15-30-24-7-3-1-5-20(24)21-6-2-4-8-25(21)30/h1-14,19,32H,15-16H2.
What are the key properties of 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol?
1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol has a molecular weight of 548.28 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(3,6-dibromocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 46851208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).