1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen

C24H14Br4Cl2FN — CID 159853989

IUPAC1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen
SMILESClc1c(Br)cc(-n2c3ccccc3c3ccccc32)cc1Br.Fc1cc(Br)c(Cl)c(Br)c1.[H][H]
InChIInChI=1S/C18H10Br2ClN.C6H2Br2ClF.H2/c19-14-9-11(10-15(20)18(14)21)22-16-7-3-1-5-12(16)13-6-2-4-8-17(13)22;7-4-1-3(10)2-5(8)6(4)9;/h1-10H;1-2H;1H
InChIKeyNQHHFBLSBJHQLS-UHFFFAOYSA-N
MW725.90 g/mol
LogP11.21
Rot. Bonds1

About 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen

1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen (PubChem CID 159853989) has the molecular formula C24H14Br4Cl2FN and a molecular weight of 725.90 g/mol. Its IUPAC name is 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen.

Molecular Properties

Compound Name1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen
PubChem CID159853989
Molecular FormulaC24H14Br4Cl2FN
Molecular Weight725.90 g/mol
Exact Mass720.72
IUPAC Name1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen
SMILESClc1c(Br)cc(-n2c3ccccc3c3ccccc32)cc1Br.Fc1cc(Br)c(Cl)c(Br)c1.[H][H]
InChIInChI=1S/C18H10Br2ClN.C6H2Br2ClF.H2/c19-14-9-11(10-15(20)18(14)21)22-16-7-3-1-5-12(16)13-6-2-4-8-17(13)22;7-4-1-3(10)2-5(8)6(4)9;/h1-10H;1-2H;1H
InChIKeyNQHHFBLSBJHQLS-UHFFFAOYSA-N
XLogP11.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-carbazol-9-yl-2-chloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen;hydroiodide
CID 157152837
9-(3-carbazol-9-yl-5-fluorophenyl)carbazole
CID 59399166
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
CID 167358333
20-(4-bromo-3-fluorophenyl)-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 172522385
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
9-(4-chlorophenyl)-2-fluorocarbazole
CID 169073574
3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
CID 143348684
1-bromo-9-(3-fluorophenyl)carbazole
CID 142752208
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-[4-[(4-carbazol-9-yl-2,6-dichlorophenyl)-(2,4,6-trichlorophenyl)methyl]-3,5-dichlorophenyl]carbazole
CID 91001962

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen?
The IUPAC name of 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen (CID 159853989) is 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen.
What is the SMILES notation for 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen?
The canonical SMILES for 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen is Clc1c(Br)cc(-n2c3ccccc3c3ccccc32)cc1Br.Fc1cc(Br)c(Cl)c(Br)c1.[H][H].
What is the InChIKey of 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen?
The InChIKey is NQHHFBLSBJHQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2ClN.C6H2Br2ClF.H2/c19-14-9-11(10-15(20)18(14)21)22-16-7-3-1-5-12(16)13-6-2-4-8-17(13)22;7-4-1-3(10)2-5(8)6(4)9;/h1-10H;1-2H;1H.
What are the key properties of 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen?
1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen has a molecular weight of 725.90 g/mol, XLogP of 11.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen is sourced from PubChem (CID 159853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).