3,6-dibromo-9-phenylcarbazole

C18H11Br2N — CID 11025791

IUPAC3,6-dibromo-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1
InChIInChI=1S/C18H11Br2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
InChIKeyJBWRZTKHMKVFMQ-UHFFFAOYSA-N
MW401.10 g/mol
LogP6.31
Rot. Bonds1

About 3,6-dibromo-9-phenylcarbazole

3,6-dibromo-9-phenylcarbazole (PubChem CID 11025791) has the molecular formula C18H11Br2N and a molecular weight of 401.10 g/mol. Its IUPAC name is 3,6-dibromo-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-dibromo-9-phenylcarbazole
PubChem CID11025791
Molecular FormulaC18H11Br2N
Molecular Weight401.10 g/mol
Exact Mass398.93
IUPAC Name3,6-dibromo-9-phenylcarbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1
InChIInChI=1S/C18H11Br2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H
InChIKeyJBWRZTKHMKVFMQ-UHFFFAOYSA-N
XLogP6.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.10
LogP ≤ 56.31
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-phenylcarbazole?
The IUPAC name of 3,6-dibromo-9-phenylcarbazole (CID 11025791) is 3,6-dibromo-9-phenylcarbazole.
What is the SMILES notation for 3,6-dibromo-9-phenylcarbazole?
The canonical SMILES for 3,6-dibromo-9-phenylcarbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccccc1.
What is the InChIKey of 3,6-dibromo-9-phenylcarbazole?
The InChIKey is JBWRZTKHMKVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N/c19-12-6-8-17-15(10-12)16-11-13(20)7-9-18(16)21(17)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 3,6-dibromo-9-phenylcarbazole?
3,6-dibromo-9-phenylcarbazole has a molecular weight of 401.10 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-phenylcarbazole is sourced from PubChem (CID 11025791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).