2,7-dibromo-9-propylcarbazole;propane

C18H21Br2N — CID 144652939

IUPAC2,7-dibromo-9-propylcarbazole;propane
SMILESCCC.CCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C15H13Br2N.C3H8/c1-2-7-18-14-8-10(16)3-5-12(14)13-6-4-11(17)9-15(13)18;1-3-2/h3-6,8-9H,2,7H2,1H3;3H2,1-2H3
InChIKeyKMGRIJAERHRIMX-UHFFFAOYSA-N
MW411.18 g/mol
LogP7.15
Rot. Bonds2

About 2,7-dibromo-9-propylcarbazole;propane

2,7-dibromo-9-propylcarbazole;propane (PubChem CID 144652939) has the molecular formula C18H21Br2N and a molecular weight of 411.18 g/mol. Its IUPAC name is 2,7-dibromo-9-propylcarbazole;propane.

Molecular Properties

Compound Name2,7-dibromo-9-propylcarbazole;propane
PubChem CID144652939
Molecular FormulaC18H21Br2N
Molecular Weight411.18 g/mol
Exact Mass409.00
IUPAC Name2,7-dibromo-9-propylcarbazole;propane
SMILESCCC.CCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C15H13Br2N.C3H8/c1-2-7-18-14-8-10(16)3-5-12(14)13-6-4-11(17)9-15(13)18;1-3-2/h3-6,8-9H,2,7H2,1H3;3H2,1-2H3
InChIKeyKMGRIJAERHRIMX-UHFFFAOYSA-N
XLogP7.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.18
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2,7-dibromo-9-(3-bromopropyl)carbazole
CID 172552809
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
CID 123176475
7-bromo-9-ethylcarbazole-2-carbaldehyde
CID 20504294
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
2,7-dibromo-10-butylacridin-9-one
CID 86036844
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
butyl-(2,7-dibromocarbazol-9-yl)-dimethyl-λ4-sulfane
CID 135200592
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
CID 144652940
6-bromo-3-ethyl-1-methylindole
CID 115042453
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-propylcarbazole;propane?
The IUPAC name of 2,7-dibromo-9-propylcarbazole;propane (CID 144652939) is 2,7-dibromo-9-propylcarbazole;propane.
What is the SMILES notation for 2,7-dibromo-9-propylcarbazole;propane?
The canonical SMILES for 2,7-dibromo-9-propylcarbazole;propane is CCC.CCCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-propylcarbazole;propane?
The InChIKey is KMGRIJAERHRIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N.C3H8/c1-2-7-18-14-8-10(16)3-5-12(14)13-6-4-11(17)9-15(13)18;1-3-2/h3-6,8-9H,2,7H2,1H3;3H2,1-2H3.
What are the key properties of 2,7-dibromo-9-propylcarbazole;propane?
2,7-dibromo-9-propylcarbazole;propane has a molecular weight of 411.18 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-propylcarbazole;propane is sourced from PubChem (CID 144652939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).