2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole

C26H22N2 — CID 90888712

IUPAC2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole
SMILESCC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2ccc3ccccc3c2C1
InChIInChI=1S/2C13H11N/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9/h2*2-7H,8H2,1H3
InChIKeyKWQBMDLSMPVSCA-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.98
Rot. Bonds

About 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole

2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole (PubChem CID 90888712) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole.

Molecular Properties

Compound Name2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole
PubChem CID90888712
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole
SMILESCC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2ccc3ccccc3c2C1
InChIInChI=1S/2C13H11N/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9/h2*2-7H,8H2,1H3
InChIKeyKWQBMDLSMPVSCA-UHFFFAOYSA-N
XLogP6.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole
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CID 172736584
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undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
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2-methyl-1-methylidenebenzo[e]indole
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole?
The IUPAC name of 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole (CID 90888712) is 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole.
What is the SMILES notation for 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole?
The canonical SMILES for 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole is CC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2ccc3ccccc3c2C1.
What is the InChIKey of 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole?
The InChIKey is KWQBMDLSMPVSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H11N/c1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9/h2*2-7H,8H2,1H3.
What are the key properties of 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole?
2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole has a molecular weight of 362.48 g/mol, XLogP of 6.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-benzo[e]indole;2-methyl-3H-benzo[g]indole is sourced from PubChem (CID 90888712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).