9-(1-bromopropyl)-3,6-dipropylcarbazole

C21H26BrN — CID 176895349

IUPAC9-(1-bromopropyl)-3,6-dipropylcarbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2C(Br)CC
InChIInChI=1S/C21H26BrN/c1-4-7-15-9-11-19-17(13-15)18-14-16(8-5-2)10-12-20(18)23(19)21(22)6-3/h9-14,21H,4-8H2,1-3H3
InChIKeyDGDLUSNVKVMZAH-UHFFFAOYSA-N
MW372.35 g/mol
LogP7.00
Rot. Bonds6

About 9-(1-bromopropyl)-3,6-dipropylcarbazole

9-(1-bromopropyl)-3,6-dipropylcarbazole (PubChem CID 176895349) has the molecular formula C21H26BrN and a molecular weight of 372.35 g/mol. Its IUPAC name is 9-(1-bromopropyl)-3,6-dipropylcarbazole.

Molecular Properties

Compound Name9-(1-bromopropyl)-3,6-dipropylcarbazole
PubChem CID176895349
Molecular FormulaC21H26BrN
Molecular Weight372.35 g/mol
Exact Mass371.12
IUPAC Name9-(1-bromopropyl)-3,6-dipropylcarbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2C(Br)CC
InChIInChI=1S/C21H26BrN/c1-4-7-15-9-11-19-17(13-15)18-14-16(8-5-2)10-12-20(18)23(19)21(22)6-3/h9-14,21H,4-8H2,1-3H3
InChIKeyDGDLUSNVKVMZAH-UHFFFAOYSA-N
XLogP7.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,15-dimethyl-7,19-dipropyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938449
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806
2-methyl-1-(2-methyl-4-propylphenyl)sulfanyl-4-propylbenzene
CID 54545030
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634
2-(aminomethylsulfanyl)-4-propylaniline
CID 143324152
1,2-difluoro-4-propylbenzene;methane
CID 160697343
3-chloro-1-(4-fluorophenyl)-5-propylindole
CID 91084496
3-ethyl-5-propyl-2H-indazole
CID 88974501
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968
9-(1-bromooctyl)carbazole
CID 174909531
3-bromo-5-propyl-2H-indazole
CID 114589273

Frequently Asked Questions

What is the IUPAC name of 9-(1-bromopropyl)-3,6-dipropylcarbazole?
The IUPAC name of 9-(1-bromopropyl)-3,6-dipropylcarbazole (CID 176895349) is 9-(1-bromopropyl)-3,6-dipropylcarbazole.
What is the SMILES notation for 9-(1-bromopropyl)-3,6-dipropylcarbazole?
The canonical SMILES for 9-(1-bromopropyl)-3,6-dipropylcarbazole is CCCc1ccc2c(c1)c1cc(CCC)ccc1n2C(Br)CC.
What is the InChIKey of 9-(1-bromopropyl)-3,6-dipropylcarbazole?
The InChIKey is DGDLUSNVKVMZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN/c1-4-7-15-9-11-19-17(13-15)18-14-16(8-5-2)10-12-20(18)23(19)21(22)6-3/h9-14,21H,4-8H2,1-3H3.
What are the key properties of 9-(1-bromopropyl)-3,6-dipropylcarbazole?
9-(1-bromopropyl)-3,6-dipropylcarbazole has a molecular weight of 372.35 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-bromopropyl)-3,6-dipropylcarbazole is sourced from PubChem (CID 176895349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).