3-phenylbenzo[e]indazole

C17H12N2 — CID 21044936

IUPAC3-phenylbenzo[e]indazole
SMILESc1ccc(-n2ncc3c4ccccc4ccc32)cc1
InChIInChI=1S/C17H12N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19/h1-12H
InChIKeyHPNSOJDPBHGWJZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.18
Rot. Bonds1

About 3-phenylbenzo[e]indazole

3-phenylbenzo[e]indazole (PubChem CID 21044936) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-phenylbenzo[e]indazole.

Molecular Properties

Compound Name3-phenylbenzo[e]indazole
PubChem CID21044936
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name3-phenylbenzo[e]indazole
SMILESc1ccc(-n2ncc3c4ccccc4ccc32)cc1
InChIInChI=1S/C17H12N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19/h1-12H
InChIKeyHPNSOJDPBHGWJZ-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenylbenzo[e]indazole 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-phenylbenzo[e]indazole?
The IUPAC name of 3-phenylbenzo[e]indazole (CID 21044936) is 3-phenylbenzo[e]indazole.
What is the SMILES notation for 3-phenylbenzo[e]indazole?
The canonical SMILES for 3-phenylbenzo[e]indazole is c1ccc(-n2ncc3c4ccccc4ccc32)cc1.
What is the InChIKey of 3-phenylbenzo[e]indazole?
The InChIKey is HPNSOJDPBHGWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-7-14(8-3-1)19-17-11-10-13-6-4-5-9-15(13)16(17)12-18-19/h1-12H.
What are the key properties of 3-phenylbenzo[e]indazole?
3-phenylbenzo[e]indazole has a molecular weight of 244.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzo[e]indazole is sourced from PubChem (CID 21044936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).