3,6-dibromo-9-naphthalen-2-ylcarbazole

C22H13Br2N — CID 58384088

IUPAC3,6-dibromo-9-naphthalen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C22H13Br2N/c23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18/h1-13H
InChIKeyZPMPPIIUVAZBBQ-UHFFFAOYSA-N
MW451.16 g/mol
LogP7.46
Rot. Bonds1

About 3,6-dibromo-9-naphthalen-2-ylcarbazole

3,6-dibromo-9-naphthalen-2-ylcarbazole (PubChem CID 58384088) has the molecular formula C22H13Br2N and a molecular weight of 451.16 g/mol. Its IUPAC name is 3,6-dibromo-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-naphthalen-2-ylcarbazole
PubChem CID58384088
Molecular FormulaC22H13Br2N
Molecular Weight451.16 g/mol
Exact Mass448.94
IUPAC Name3,6-dibromo-9-naphthalen-2-ylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C22H13Br2N/c23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18/h1-13H
InChIKeyZPMPPIIUVAZBBQ-UHFFFAOYSA-N
XLogP7.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.16
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3,6-dibromo-9-naphthalen-2-ylcarbazole (CID 58384088) is 3,6-dibromo-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3,6-dibromo-9-naphthalen-2-ylcarbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of 3,6-dibromo-9-naphthalen-2-ylcarbazole?
The InChIKey is ZPMPPIIUVAZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Br2N/c23-16-6-9-21-19(12-16)20-13-17(24)7-10-22(20)25(21)18-8-5-14-3-1-2-4-15(14)11-18/h1-13H.
What are the key properties of 3,6-dibromo-9-naphthalen-2-ylcarbazole?
3,6-dibromo-9-naphthalen-2-ylcarbazole has a molecular weight of 451.16 g/mol, XLogP of 7.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 58384088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).