8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole

C16H14BrN — CID 146341834

IUPAC8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
SMILESBrc1cccc2c1NC1CCc3ccccc3C21
InChIInChI=1S/C16H14BrN/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13/h1-7,14-15,18H,8-9H2
InChIKeyOZRMPPYFLRCYFA-UHFFFAOYSA-N
MW300.20 g/mol
LogP4.32
Rot. Bonds

About 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole

8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole (PubChem CID 146341834) has the molecular formula C16H14BrN and a molecular weight of 300.20 g/mol. Its IUPAC name is 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole.

Molecular Properties

Compound Name8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
PubChem CID146341834
Molecular FormulaC16H14BrN
Molecular Weight300.20 g/mol
Exact Mass299.03
IUPAC Name8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
SMILESBrc1cccc2c1NC1CCc3ccccc3C21
InChIInChI=1S/C16H14BrN/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13/h1-7,14-15,18H,8-9H2
InChIKeyOZRMPPYFLRCYFA-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole?
The IUPAC name of 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole (CID 146341834) is 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole.
What is the SMILES notation for 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole?
The canonical SMILES for 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole is Brc1cccc2c1NC1CCc3ccccc3C21.
What is the InChIKey of 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole?
The InChIKey is OZRMPPYFLRCYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN/c17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)18-16(12)13/h1-7,14-15,18H,8-9H2.
What are the key properties of 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole?
8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole has a molecular weight of 300.20 g/mol, XLogP of 4.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole is sourced from PubChem (CID 146341834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).