3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole

C23H21Br2N — CID 59557276

IUPAC3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole
SMILESCC(C)(C)c1ccc(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C23H21Br2N/c1-23(2,3)16-6-4-15(5-7-16)14-26-21-10-8-17(24)12-19(21)20-13-18(25)9-11-22(20)26/h4-13H,14H2,1-3H3
InChIKeyUUOSGUHCBIZSGB-UHFFFAOYSA-N
MW471.24 g/mol
LogP7.67
Rot. Bonds2

About 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole

3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole (PubChem CID 59557276) has the molecular formula C23H21Br2N and a molecular weight of 471.24 g/mol. Its IUPAC name is 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole
PubChem CID59557276
Molecular FormulaC23H21Br2N
Molecular Weight471.24 g/mol
Exact Mass469.00
IUPAC Name3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole
SMILESCC(C)(C)c1ccc(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C23H21Br2N/c1-23(2,3)16-6-4-15(5-7-16)14-26-21-10-8-17(24)12-19(21)20-13-18(25)9-11-22(20)26/h4-13H,14H2,1-3H3
InChIKeyUUOSGUHCBIZSGB-UHFFFAOYSA-N
XLogP7.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.24
LogP ≤ 57.67
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-tert-butylphenyl)methyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole (CID 59557276) is 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole is CC(C)(C)c1ccc(Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole?
The InChIKey is UUOSGUHCBIZSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2N/c1-23(2,3)16-6-4-15(5-7-16)14-26-21-10-8-17(24)12-19(21)20-13-18(25)9-11-22(20)26/h4-13H,14H2,1-3H3.
What are the key properties of 3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole?
3,6-dibromo-9-[(4-tert-butylphenyl)methyl]carbazole has a molecular weight of 471.24 g/mol, XLogP of 7.67, 2 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-tert-butylphenyl)methyl]carbazole is sourced from PubChem (CID 59557276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).