3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole

C22H13Br2N3 — CID 102596077

IUPAC3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole
SMILESBrc1cc(-c2ccccn2)c2[nH]c3c(-c4ccccn4)cc(Br)cc3c2c1
InChIInChI=1S/C22H13Br2N3/c23-13-9-15-16-10-14(24)12-18(20-6-2-4-8-26-20)22(16)27-21(15)17(11-13)19-5-1-3-7-25-19/h1-12,27H
InChIKeyNOHIJAROJALNNZ-UHFFFAOYSA-N
MW479.18 g/mol
LogP6.97
Rot. Bonds2

About 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole

3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole (PubChem CID 102596077) has the molecular formula C22H13Br2N3 and a molecular weight of 479.18 g/mol. Its IUPAC name is 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole.

Molecular Properties

Compound Name3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole
PubChem CID102596077
Molecular FormulaC22H13Br2N3
Molecular Weight479.18 g/mol
Exact Mass476.95
IUPAC Name3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole
SMILESBrc1cc(-c2ccccn2)c2[nH]c3c(-c4ccccn4)cc(Br)cc3c2c1
InChIInChI=1S/C22H13Br2N3/c23-13-9-15-16-10-14(24)12-18(20-6-2-4-8-26-20)22(16)27-21(15)17(11-13)19-5-1-3-7-25-19/h1-12,27H
InChIKeyNOHIJAROJALNNZ-UHFFFAOYSA-N
XLogP6.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.18
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole?
The IUPAC name of 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole (CID 102596077) is 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole.
What is the SMILES notation for 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole?
The canonical SMILES for 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole is Brc1cc(-c2ccccn2)c2[nH]c3c(-c4ccccn4)cc(Br)cc3c2c1.
What is the InChIKey of 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole?
The InChIKey is NOHIJAROJALNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Br2N3/c23-13-9-15-16-10-14(24)12-18(20-6-2-4-8-26-20)22(16)27-21(15)17(11-13)19-5-1-3-7-25-19/h1-12,27H.
What are the key properties of 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole?
3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole has a molecular weight of 479.18 g/mol, XLogP of 6.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1,8-dipyridin-2-yl-9H-carbazole is sourced from PubChem (CID 102596077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).