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

C19H16N2 — CID 6474474

IUPAC(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
SMILESCC1=Nc2ccccc2/C1=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11+
InChIKeyQZEAODHCQJHGHR-GZTJUZNOSA-N
MW272.35 g/mol
LogP5.12
Rot. Bonds1

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

(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole (PubChem CID 6474474) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole.

Molecular Properties

Compound Name(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
PubChem CID6474474
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
SMILESCC1=Nc2ccccc2/C1=C/c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11+
InChIKeyQZEAODHCQJHGHR-GZTJUZNOSA-N
XLogP5.12
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole?
The IUPAC name of (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole (CID 6474474) is (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole.
What is the SMILES notation for (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole?
The canonical SMILES for (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole is CC1=Nc2ccccc2/C1=C/c1c(C)[nH]c2ccccc12.
What is the InChIKey of (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole?
The InChIKey is QZEAODHCQJHGHR-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11+.
What are the key properties of (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole?
(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole has a molecular weight of 272.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole is sourced from PubChem (CID 6474474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).