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

C19H13Br2NO — CID 58620860

IUPAC3,6-dibromo-9-(4-methoxyphenyl)carbazole
SMILESCOc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H13Br2NO/c1-23-15-6-4-14(5-7-15)22-18-8-2-12(20)10-16(18)17-11-13(21)3-9-19(17)22/h2-11H,1H3
InChIKeyYXWHLCSWBLHWCH-UHFFFAOYSA-N
MW431.13 g/mol
LogP6.32
Rot. Bonds2

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

3,6-dibromo-9-(4-methoxyphenyl)carbazole (PubChem CID 58620860) has the molecular formula C19H13Br2NO and a molecular weight of 431.13 g/mol. Its IUPAC name is 3,6-dibromo-9-(4-methoxyphenyl)carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-(4-methoxyphenyl)carbazole
PubChem CID58620860
Molecular FormulaC19H13Br2NO
Molecular Weight431.13 g/mol
Exact Mass428.94
IUPAC Name3,6-dibromo-9-(4-methoxyphenyl)carbazole
SMILESCOc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C19H13Br2NO/c1-23-15-6-4-14(5-7-15)22-18-8-2-12(20)10-16(18)17-11-13(21)3-9-19(17)22/h2-11H,1H3
InChIKeyYXWHLCSWBLHWCH-UHFFFAOYSA-N
XLogP6.32
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.13
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-9-methyl-9H-carbazole
CID 2059429
1-(3,6-Dibromocarbazol-9-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 9938353
N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-3-methoxyaniline
CID 46853447
1-(3,6-Dibromo-carbazol-9-yl)-3-(4-ethoxy-phenylamino)-propan-2-ol
CID 2836209
5-Bromo-2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methylindole
CID 44142436
2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 155537862
6-Bromo-2-(4-methoxyphenyl)-4-phenylquinoline
CID 633685
N-(2-carbazol-9-ylethyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 9820170
3-carbazol-9-yl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpropan-1-amine
CID 9951389
3-(4-methoxy-phenyl)-1-methyl-2-phenyl-1H-indole
CID 13896071
1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 86298704
9-(4-Methoxyphenyl)carbazole
CID 3110802

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-(4-methoxyphenyl)carbazole?
The IUPAC name of 3,6-dibromo-9-(4-methoxyphenyl)carbazole (CID 58620860) is 3,6-dibromo-9-(4-methoxyphenyl)carbazole.
What is the SMILES notation for 3,6-dibromo-9-(4-methoxyphenyl)carbazole?
The canonical SMILES for 3,6-dibromo-9-(4-methoxyphenyl)carbazole is COc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3,6-dibromo-9-(4-methoxyphenyl)carbazole?
The InChIKey is YXWHLCSWBLHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2NO/c1-23-15-6-4-14(5-7-15)22-18-8-2-12(20)10-16(18)17-11-13(21)3-9-19(17)22/h2-11H,1H3.
What are the key properties of 3,6-dibromo-9-(4-methoxyphenyl)carbazole?
3,6-dibromo-9-(4-methoxyphenyl)carbazole has a molecular weight of 431.13 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-(4-methoxyphenyl)carbazole is sourced from PubChem (CID 58620860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).