9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine

C20H16Cl3N3 — CID 171793775

IUPAC9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine
SMILESNCCn1c2cc(Nc3ccc(Cl)cc3)ccc2c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H16Cl3N3/c21-12-1-3-13(4-2-12)25-14-5-6-15-16-10-17(22)18(23)11-20(16)26(8-7-24)19(15)9-14/h1-6,9-11,25H,7-8,24H2
InChIKeyCLGYQLQFFQXVMT-UHFFFAOYSA-N
MW404.73 g/mol
LogP6.46
Rot. Bonds4

About 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine

9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine (PubChem CID 171793775) has the molecular formula C20H16Cl3N3 and a molecular weight of 404.73 g/mol. Its IUPAC name is 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine
PubChem CID171793775
Molecular FormulaC20H16Cl3N3
Molecular Weight404.73 g/mol
Exact Mass403.04
IUPAC Name9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine
SMILESNCCn1c2cc(Nc3ccc(Cl)cc3)ccc2c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C20H16Cl3N3/c21-12-1-3-13(4-2-12)25-14-5-6-15-16-10-17(22)18(23)11-20(16)26(8-7-24)19(15)9-14/h1-6,9-11,25H,7-8,24H2
InChIKeyCLGYQLQFFQXVMT-UHFFFAOYSA-N
XLogP6.46
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.73
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine?
The IUPAC name of 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine (CID 171793775) is 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine.
What is the SMILES notation for 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine?
The canonical SMILES for 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine is NCCn1c2cc(Nc3ccc(Cl)cc3)ccc2c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine?
The InChIKey is CLGYQLQFFQXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N3/c21-12-1-3-13(4-2-12)25-14-5-6-15-16-10-17(22)18(23)11-20(16)26(8-7-24)19(15)9-14/h1-6,9-11,25H,7-8,24H2.
What are the key properties of 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine?
9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine has a molecular weight of 404.73 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)-6,7-dichloro-N-(4-chlorophenyl)carbazol-2-amine is sourced from PubChem (CID 171793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).