2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole

C25H21N — CID 66524531

IUPAC2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole
SMILESCC1=NC2C(=C1)C(c1ccccc1)=C(c1ccccc1)C1C=CC=CC12
InChIInChI=1S/C25H21N/c1-17-16-22-24(19-12-6-3-7-13-19)23(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(22)26-17/h2-16,20-21,25H,1H3
InChIKeyMKINDNJAVQZBSK-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.74
Rot. Bonds2

About 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole

2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole (PubChem CID 66524531) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole
PubChem CID66524531
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole
SMILESCC1=NC2C(=C1)C(c1ccccc1)=C(c1ccccc1)C1C=CC=CC12
InChIInChI=1S/C25H21N/c1-17-16-22-24(19-12-6-3-7-13-19)23(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(22)26-17/h2-16,20-21,25H,1H3
InChIKeyMKINDNJAVQZBSK-UHFFFAOYSA-N
XLogP5.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole?
The IUPAC name of 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole (CID 66524531) is 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole.
What is the SMILES notation for 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole?
The canonical SMILES for 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole is CC1=NC2C(=C1)C(c1ccccc1)=C(c1ccccc1)C1C=CC=CC12.
What is the InChIKey of 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole?
The InChIKey is MKINDNJAVQZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-17-16-22-24(19-12-6-3-7-13-19)23(18-10-4-2-5-11-18)20-14-8-9-15-21(20)25(22)26-17/h2-16,20-21,25H,1H3.
What are the key properties of 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole?
2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole has a molecular weight of 335.45 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-9a,9b-dihydro-5aH-benzo[g]indole is sourced from PubChem (CID 66524531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).