2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole

C20H15Br2N — CID 134294519

IUPAC2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
SMILESCc1ccccc1Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H15Br2N/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12H2,1H3
InChIKeyUFSMNIGGMVUYPP-UHFFFAOYSA-N
MW429.16 g/mol
LogP6.68
Rot. Bonds2

About 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole

2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole (PubChem CID 134294519) has the molecular formula C20H15Br2N and a molecular weight of 429.16 g/mol. Its IUPAC name is 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole.

Molecular Properties

Compound Name2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
PubChem CID134294519
Molecular FormulaC20H15Br2N
Molecular Weight429.16 g/mol
Exact Mass426.96
IUPAC Name2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
SMILESCc1ccccc1Cn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C20H15Br2N/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12H2,1H3
InChIKeyUFSMNIGGMVUYPP-UHFFFAOYSA-N
XLogP6.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.16
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole?
The IUPAC name of 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole (CID 134294519) is 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole.
What is the SMILES notation for 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole?
The canonical SMILES for 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole is Cc1ccccc1Cn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole?
The InChIKey is UFSMNIGGMVUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2N/c1-13-4-2-3-5-14(13)12-23-19-10-15(21)6-8-17(19)18-9-7-16(22)11-20(18)23/h2-11H,12H2,1H3.
What are the key properties of 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole?
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole has a molecular weight of 429.16 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole is sourced from PubChem (CID 134294519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).