2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole

C23H17Cl2N5O — CID 59238905

IUPAC2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C23H17Cl2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2
InChIKeyGPOBUKPOIKUJCO-UHFFFAOYSA-N
MW450.33 g/mol
LogP6.32
Rot. Bonds5

About 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole

2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 59238905) has the molecular formula C23H17Cl2N5O and a molecular weight of 450.33 g/mol. Its IUPAC name is 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID59238905
Molecular FormulaC23H17Cl2N5O
Molecular Weight450.33 g/mol
Exact Mass449.08
IUPAC Name2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole
SMILESClc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1
InChIInChI=1S/C23H17Cl2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2
InChIKeyGPOBUKPOIKUJCO-UHFFFAOYSA-N
XLogP6.32
TPSA71.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole (CID 59238905) is 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is Clc1ccc2[nH]c3c(OCCCn4cnnc4)c4[nH]c5ccc(Cl)cc5c4cc3c2c1.
What is the InChIKey of 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is GPOBUKPOIKUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O/c24-13-2-4-19-15(8-13)17-10-18-16-9-14(25)3-5-20(16)29-22(18)23(21(17)28-19)31-7-1-6-30-11-26-27-12-30/h2-5,8-12,28-29H,1,6-7H2.
What are the key properties of 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole?
2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 450.33 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dichloro-6-[3-(1,2,4-triazol-4-yl)propoxy]-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 59238905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).