2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole

C27H26N2 — CID 59459658

IUPAC2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole
SMILESCCc1cc(CC)cc(C2=Nc3ccc(-c4ccc5c(c4)CC(C)=N5)cc3C2)c1
InChIInChI=1S/C27H26N2/c1-4-18-11-19(5-2)13-23(12-18)27-16-24-15-21(7-9-26(24)29-27)20-6-8-25-22(14-20)10-17(3)28-25/h6-9,11-15H,4-5,10,16H2,1-3H3
InChIKeyDFWYZLSXVULRPM-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.80
Rot. Bonds4

About 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole

2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole (PubChem CID 59459658) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole.

Molecular Properties

Compound Name2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole
PubChem CID59459658
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole
SMILESCCc1cc(CC)cc(C2=Nc3ccc(-c4ccc5c(c4)CC(C)=N5)cc3C2)c1
InChIInChI=1S/C27H26N2/c1-4-18-11-19(5-2)13-23(12-18)27-16-24-15-21(7-9-26(24)29-27)20-6-8-25-22(14-20)10-17(3)28-25/h6-9,11-15H,4-5,10,16H2,1-3H3
InChIKeyDFWYZLSXVULRPM-UHFFFAOYSA-N
XLogP6.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole?
The IUPAC name of 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole (CID 59459658) is 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole.
What is the SMILES notation for 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole?
The canonical SMILES for 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole is CCc1cc(CC)cc(C2=Nc3ccc(-c4ccc5c(c4)CC(C)=N5)cc3C2)c1.
What is the InChIKey of 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole?
The InChIKey is DFWYZLSXVULRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-4-18-11-19(5-2)13-23(12-18)27-16-24-15-21(7-9-26(24)29-27)20-6-8-25-22(14-20)10-17(3)28-25/h6-9,11-15H,4-5,10,16H2,1-3H3.
What are the key properties of 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole?
2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole has a molecular weight of 378.52 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole is sourced from PubChem (CID 59459658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).