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

C19H13Br2N — CID 53401077

IUPAC3,6-dibromo-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H13Br2N/c1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3
InChIKeyZLCMXHALWTYHOY-UHFFFAOYSA-N
MW415.13 g/mol
LogP6.62
Rot. Bonds1

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

3,6-dibromo-9-(4-methylphenyl)carbazole (PubChem CID 53401077) has the molecular formula C19H13Br2N and a molecular weight of 415.13 g/mol. Its IUPAC name is 3,6-dibromo-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(4-methylphenyl)carbazole
PubChem CID53401077
Molecular FormulaC19H13Br2N
Molecular Weight415.13 g/mol
Exact Mass412.94
IUPAC Name3,6-dibromo-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H13Br2N/c1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3
InChIKeyZLCMXHALWTYHOY-UHFFFAOYSA-N
XLogP6.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.13
LogP ≤ 56.62
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-methylphenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(4-methylphenyl)carbazole (CID 53401077) is 3,6-dibromo-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3,6-dibromo-9-(4-methylphenyl)carbazole?
The InChIKey is ZLCMXHALWTYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N/c1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3.
What are the key properties of 3,6-dibromo-9-(4-methylphenyl)carbazole?
3,6-dibromo-9-(4-methylphenyl)carbazole has a molecular weight of 415.13 g/mol, XLogP of 6.62, 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-methylphenyl)carbazole is sourced from PubChem (CID 53401077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).