2,7-dibromo-9-(3-bromopropyl)carbazole

C15H12Br3N — CID 172552809

IUPAC2,7-dibromo-9-(3-bromopropyl)carbazole
SMILESBrCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C15H12Br3N/c16-6-1-7-19-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)19/h2-5,8-9H,1,6-7H2
InChIKeyJNMHGXKDZIQRMY-UHFFFAOYSA-N
MW445.98 g/mol
LogP6.10
Rot. Bonds3

About 2,7-dibromo-9-(3-bromopropyl)carbazole

2,7-dibromo-9-(3-bromopropyl)carbazole (PubChem CID 172552809) has the molecular formula C15H12Br3N and a molecular weight of 445.98 g/mol. Its IUPAC name is 2,7-dibromo-9-(3-bromopropyl)carbazole.

Molecular Properties

Compound Name2,7-dibromo-9-(3-bromopropyl)carbazole
PubChem CID172552809
Molecular FormulaC15H12Br3N
Molecular Weight445.98 g/mol
Exact Mass442.85
IUPAC Name2,7-dibromo-9-(3-bromopropyl)carbazole
SMILESBrCCCn1c2cc(Br)ccc2c2ccc(Br)cc21
InChIInChI=1S/C15H12Br3N/c16-6-1-7-19-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)19/h2-5,8-9H,1,6-7H2
InChIKeyJNMHGXKDZIQRMY-UHFFFAOYSA-N
XLogP6.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.98
LogP ≤ 56.10
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

2,7-dibromo-9-tetracontylcarbazole
CID 141357666
2,7-dibromo-9-propylcarbazole;propane
CID 144652939
7-bromo-9-(6-carbazol-9-ylhexyl)carbazol-2-amine
CID 53338588
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
CID 141391758
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(2,7-dibromocarbazol-9-yl)-N'-methylpropanimidamide
CID 123176475
tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
4-[2-(2,7-dibromocarbazol-9-yl)ethyl-methylamino]butanal
CID 144652940
N-(7-bromo-9-butylcarbazol-2-yl)-1,1-diphenylmethanimine
CID 134281226
9-benzyl-2-bromocarbazole
CID 123133636
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
2,7-dibromo-10-butylacridin-9-one
CID 86036844

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(3-bromopropyl)carbazole?
The IUPAC name of 2,7-dibromo-9-(3-bromopropyl)carbazole (CID 172552809) is 2,7-dibromo-9-(3-bromopropyl)carbazole.
What is the SMILES notation for 2,7-dibromo-9-(3-bromopropyl)carbazole?
The canonical SMILES for 2,7-dibromo-9-(3-bromopropyl)carbazole is BrCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-(3-bromopropyl)carbazole?
The InChIKey is JNMHGXKDZIQRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3N/c16-6-1-7-19-14-8-10(17)2-4-12(14)13-5-3-11(18)9-15(13)19/h2-5,8-9H,1,6-7H2.
What are the key properties of 2,7-dibromo-9-(3-bromopropyl)carbazole?
2,7-dibromo-9-(3-bromopropyl)carbazole has a molecular weight of 445.98 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(3-bromopropyl)carbazole is sourced from PubChem (CID 172552809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).