3,6-dibromo-9-(4-bromophenyl)carbazole

C18H10Br3N — CID 11059889

IUPAC3,6-dibromo-9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C18H10Br3N/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H
InChIKeyNRTDFHUSNYJENJ-UHFFFAOYSA-N
MW480.00 g/mol
LogP7.07
Rot. Bonds1

About 3,6-dibromo-9-(4-bromophenyl)carbazole

3,6-dibromo-9-(4-bromophenyl)carbazole (PubChem CID 11059889) has the molecular formula C18H10Br3N and a molecular weight of 480.00 g/mol. Its IUPAC name is 3,6-dibromo-9-(4-bromophenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(4-bromophenyl)carbazole
PubChem CID11059889
Molecular FormulaC18H10Br3N
Molecular Weight480.00 g/mol
Exact Mass476.84
IUPAC Name3,6-dibromo-9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C18H10Br3N/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H
InChIKeyNRTDFHUSNYJENJ-UHFFFAOYSA-N
XLogP7.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.00
LogP ≤ 57.07
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-(4-bromophenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(4-bromophenyl)carbazole (CID 11059889) is 3,6-dibromo-9-(4-bromophenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(4-bromophenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(4-bromophenyl)carbazole is Brc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3,6-dibromo-9-(4-bromophenyl)carbazole?
The InChIKey is NRTDFHUSNYJENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br3N/c19-11-1-5-14(6-2-11)22-17-7-3-12(20)9-15(17)16-10-13(21)4-8-18(16)22/h1-10H.
What are the key properties of 3,6-dibromo-9-(4-bromophenyl)carbazole?
3,6-dibromo-9-(4-bromophenyl)carbazole has a molecular weight of 480.00 g/mol, XLogP of 7.07, 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-(4-bromophenyl)carbazole is sourced from PubChem (CID 11059889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).