3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole

C30H17Br2FN2 — CID 168811194

IUPAC3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole
SMILESFc1cc(Br)c(Br)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C30H17Br2FN2/c31-23-16-25(33)30(17-24(23)32)35-28-12-6-3-9-21(28)22-15-18(13-14-29(22)35)34-26-10-4-1-7-19(26)20-8-2-5-11-27(20)34/h1-17H
InChIKeyATOJIEUUMHRWSV-UHFFFAOYSA-N
MW584.29 g/mol
LogP9.54
Rot. Bonds2

About 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole

3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole (PubChem CID 168811194) has the molecular formula C30H17Br2FN2 and a molecular weight of 584.29 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole
PubChem CID168811194
Molecular FormulaC30H17Br2FN2
Molecular Weight584.29 g/mol
Exact Mass581.97
IUPAC Name3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole
SMILESFc1cc(Br)c(Br)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C30H17Br2FN2/c31-23-16-25(33)30(17-24(23)32)35-28-12-6-3-9-21(28)22-15-18(13-14-29(22)35)34-26-10-4-1-7-19(26)20-8-2-5-11-27(20)34/h1-17H
InChIKeyATOJIEUUMHRWSV-UHFFFAOYSA-N
XLogP9.54
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.29
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole (CID 168811194) is 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole is Fc1cc(Br)c(Br)cc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole?
The InChIKey is ATOJIEUUMHRWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17Br2FN2/c31-23-16-25(33)30(17-24(23)32)35-28-12-6-3-9-21(28)22-15-18(13-14-29(22)35)34-26-10-4-1-7-19(26)20-8-2-5-11-27(20)34/h1-17H.
What are the key properties of 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole?
3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole has a molecular weight of 584.29 g/mol, XLogP of 9.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-(4,5-dibromo-2-fluorophenyl)carbazole is sourced from PubChem (CID 168811194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).