5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole

C22H23N — CID 143700147

IUPAC5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole
SMILESCCC1(C)Cc2c(-c3ccccc3)cn(C)c2-c2ccccc21
InChIInChI=1S/C22H23N/c1-4-22(2)14-18-19(16-10-6-5-7-11-16)15-23(3)21(18)17-12-8-9-13-20(17)22/h5-13,15H,4,14H2,1-3H3
InChIKeySRCQDNYZGPJQDB-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.58
Rot. Bonds2

About 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole

5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole (PubChem CID 143700147) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole.

Molecular Properties

Compound Name5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole
PubChem CID143700147
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole
SMILESCCC1(C)Cc2c(-c3ccccc3)cn(C)c2-c2ccccc21
InChIInChI=1S/C22H23N/c1-4-22(2)14-18-19(16-10-6-5-7-11-16)15-23(3)21(18)17-12-8-9-13-20(17)22/h5-13,15H,4,14H2,1-3H3
InChIKeySRCQDNYZGPJQDB-UHFFFAOYSA-N
XLogP5.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole?
The IUPAC name of 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole (CID 143700147) is 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole.
What is the SMILES notation for 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole?
The canonical SMILES for 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole is CCC1(C)Cc2c(-c3ccccc3)cn(C)c2-c2ccccc21.
What is the InChIKey of 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole?
The InChIKey is SRCQDNYZGPJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-4-22(2)14-18-19(16-10-6-5-7-11-16)15-23(3)21(18)17-12-8-9-13-20(17)22/h5-13,15H,4,14H2,1-3H3.
What are the key properties of 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole?
5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole has a molecular weight of 301.43 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,5-dimethyl-3-phenyl-4H-benzo[g]indole is sourced from PubChem (CID 143700147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).