3-bromo-9-(4-bromophenyl)carbazole

C18H11Br2N — CID 66797808

IUPAC3-bromo-9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C18H11Br2N/c19-12-5-8-14(9-6-12)21-17-4-2-1-3-15(17)16-11-13(20)7-10-18(16)21/h1-11H
InChIKeyZUNLPNWEQKBULG-UHFFFAOYSA-N
MW401.10 g/mol
LogP6.31
Rot. Bonds1

About 3-bromo-9-(4-bromophenyl)carbazole

3-bromo-9-(4-bromophenyl)carbazole (PubChem CID 66797808) has the molecular formula C18H11Br2N and a molecular weight of 401.10 g/mol. Its IUPAC name is 3-bromo-9-(4-bromophenyl)carbazole.

Molecular Properties

Compound Name3-bromo-9-(4-bromophenyl)carbazole
PubChem CID66797808
Molecular FormulaC18H11Br2N
Molecular Weight401.10 g/mol
Exact Mass398.93
IUPAC Name3-bromo-9-(4-bromophenyl)carbazole
SMILESBrc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C18H11Br2N/c19-12-5-8-14(9-6-12)21-17-4-2-1-3-15(17)16-11-13(20)7-10-18(16)21/h1-11H
InChIKeyZUNLPNWEQKBULG-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-bromo-9-(4-bromophenyl)carbazole?
The IUPAC name of 3-bromo-9-(4-bromophenyl)carbazole (CID 66797808) is 3-bromo-9-(4-bromophenyl)carbazole.
What is the SMILES notation for 3-bromo-9-(4-bromophenyl)carbazole?
The canonical SMILES for 3-bromo-9-(4-bromophenyl)carbazole is Brc1ccc(-n2c3ccccc3c3cc(Br)ccc32)cc1.
What is the InChIKey of 3-bromo-9-(4-bromophenyl)carbazole?
The InChIKey is ZUNLPNWEQKBULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N/c19-12-5-8-14(9-6-12)21-17-4-2-1-3-15(17)16-11-13(20)7-10-18(16)21/h1-11H.
What are the key properties of 3-bromo-9-(4-bromophenyl)carbazole?
3-bromo-9-(4-bromophenyl)carbazole 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-bromo-9-(4-bromophenyl)carbazole is sourced from PubChem (CID 66797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).