3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C27H23N3 — CID 11234661

IUPAC3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1c[nH]c2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C27H23N3/c1-16-25(19-10-4-7-13-23(19)29-16)27(21-15-28-22-12-6-3-9-18(21)22)26-17(2)30-24-14-8-5-11-20(24)26/h3-15,27-30H,1-2H3
InChIKeyIACQBBKPAOEELN-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.93
Rot. Bonds3

About 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 11234661) has the molecular formula C27H23N3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID11234661
Molecular FormulaC27H23N3
Molecular Weight389.50 g/mol
Exact Mass389.19
IUPAC Name3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1c[nH]c2ccccc12)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C27H23N3/c1-16-25(19-10-4-7-13-23(19)29-16)27(21-15-28-22-12-6-3-9-18(21)22)26-17(2)30-24-14-8-5-11-20(24)26/h3-15,27-30H,1-2H3
InChIKeyIACQBBKPAOEELN-UHFFFAOYSA-N
XLogP6.93
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 11234661) is 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1c[nH]c2ccccc12)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is IACQBBKPAOEELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3/c1-16-25(19-10-4-7-13-23(19)29-16)27(21-15-28-22-12-6-3-9-18(21)22)26-17(2)30-24-14-8-5-11-20(24)26/h3-15,27-30H,1-2H3.
What are the key properties of 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 389.50 g/mol, XLogP of 6.93, 3 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 11234661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).