1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol

C23H18Br2N2O — CID 46851554

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C23H18Br2N2O/c24-16-5-7-22-19(11-16)20-12-17(25)6-8-23(20)27(22)14-18(28)13-26-10-9-15-3-1-2-4-21(15)26/h1-12,18,28H,13-14H2
InChIKeyAUQOJCZVUALAPA-UHFFFAOYSA-N
MW498.22 g/mol
LogP6.34
Rot. Bonds4

About 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol (PubChem CID 46851554) has the molecular formula C23H18Br2N2O and a molecular weight of 498.22 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol
PubChem CID46851554
Molecular FormulaC23H18Br2N2O
Molecular Weight498.22 g/mol
Exact Mass495.98
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol
SMILESOC(Cn1ccc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C23H18Br2N2O/c24-16-5-7-22-19(11-16)20-12-17(25)6-8-23(20)27(22)14-18(28)13-26-10-9-15-3-1-2-4-21(15)26/h1-12,18,28H,13-14H2
InChIKeyAUQOJCZVUALAPA-UHFFFAOYSA-N
XLogP6.34
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.22
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol (CID 46851554) is 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol is OC(Cn1ccc2ccccc21)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
The InChIKey is AUQOJCZVUALAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Br2N2O/c24-16-5-7-22-19(11-16)20-12-17(25)6-8-23(20)27(22)14-18(28)13-26-10-9-15-3-1-2-4-21(15)26/h1-12,18,28H,13-14H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol has a molecular weight of 498.22 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-indol-1-ylpropan-2-ol is sourced from PubChem (CID 46851554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).