9-(4-bromo-8-chloronaphthalen-1-yl)carbazole

C22H13BrClN — CID 164839224

IUPAC9-(4-bromo-8-chloronaphthalen-1-yl)carbazole
SMILESClc1cccc2c(Br)ccc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C22H13BrClN/c23-17-12-13-21(22-16(17)8-5-9-18(22)24)25-19-10-3-1-6-14(19)15-7-2-4-11-20(15)25/h1-13H
InChIKeyDPIVHZBGDYCNMY-UHFFFAOYSA-N
MW406.71 g/mol
LogP7.35
Rot. Bonds1

About 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole

9-(4-bromo-8-chloronaphthalen-1-yl)carbazole (PubChem CID 164839224) has the molecular formula C22H13BrClN and a molecular weight of 406.71 g/mol. Its IUPAC name is 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole.

Molecular Properties

Compound Name9-(4-bromo-8-chloronaphthalen-1-yl)carbazole
PubChem CID164839224
Molecular FormulaC22H13BrClN
Molecular Weight406.71 g/mol
Exact Mass404.99
IUPAC Name9-(4-bromo-8-chloronaphthalen-1-yl)carbazole
SMILESClc1cccc2c(Br)ccc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C22H13BrClN/c23-17-12-13-21(22-16(17)8-5-9-18(22)24)25-19-10-3-1-6-14(19)15-7-2-4-11-20(15)25/h1-13H
InChIKeyDPIVHZBGDYCNMY-UHFFFAOYSA-N
XLogP7.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.71
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole?
The IUPAC name of 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole (CID 164839224) is 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole.
What is the SMILES notation for 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole?
The canonical SMILES for 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole is Clc1cccc2c(Br)ccc(-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole?
The InChIKey is DPIVHZBGDYCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrClN/c23-17-12-13-21(22-16(17)8-5-9-18(22)24)25-19-10-3-1-6-14(19)15-7-2-4-11-20(15)25/h1-13H.
What are the key properties of 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole?
9-(4-bromo-8-chloronaphthalen-1-yl)carbazole has a molecular weight of 406.71 g/mol, XLogP of 7.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-8-chloronaphthalen-1-yl)carbazole is sourced from PubChem (CID 164839224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).