3-anthracen-9-yl-1H-benzo[g]indole

C26H17N — CID 170135106

IUPAC3-anthracen-9-yl-1H-benzo[g]indole
SMILESc1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H
InChIKeyQPVXUJDYZDDEDJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP7.29
Rot. Bonds1

About 3-anthracen-9-yl-1H-benzo[g]indole

3-anthracen-9-yl-1H-benzo[g]indole (PubChem CID 170135106) has the molecular formula C26H17N and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-anthracen-9-yl-1H-benzo[g]indole.

Molecular Properties

Compound Name3-anthracen-9-yl-1H-benzo[g]indole
PubChem CID170135106
Molecular FormulaC26H17N
Molecular Weight343.43 g/mol
Exact Mass343.14
IUPAC Name3-anthracen-9-yl-1H-benzo[g]indole
SMILESc1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H
InChIKeyQPVXUJDYZDDEDJ-UHFFFAOYSA-N
XLogP7.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-anthracen-9-yl-1H-benzo[g]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-1H-benzo[g]indole?
The IUPAC name of 3-anthracen-9-yl-1H-benzo[g]indole (CID 170135106) is 3-anthracen-9-yl-1H-benzo[g]indole.
What is the SMILES notation for 3-anthracen-9-yl-1H-benzo[g]indole?
The canonical SMILES for 3-anthracen-9-yl-1H-benzo[g]indole is c1ccc2c(-c3c[nH]c4c3ccc3ccccc34)c3ccccc3cc2c1.
What is the InChIKey of 3-anthracen-9-yl-1H-benzo[g]indole?
The InChIKey is QPVXUJDYZDDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N/c1-6-12-22-17(7-1)13-14-23-24(16-27-26(22)23)25-20-10-4-2-8-18(20)15-19-9-3-5-11-21(19)25/h1-16,27H.
What are the key properties of 3-anthracen-9-yl-1H-benzo[g]indole?
3-anthracen-9-yl-1H-benzo[g]indole has a molecular weight of 343.43 g/mol, XLogP of 7.29, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-1H-benzo[g]indole is sourced from PubChem (CID 170135106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).