7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C23H22ClNO — CID 56668811

IUPAC7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O
InChIInChI=1S/C23H21NO.ClH/c24-22-14-13-20-18(16-7-3-1-4-8-16)11-12-19(21(20)15-23(22)25)17-9-5-2-6-10-17;/h1-12,22H,13-15,24H2;1H
InChIKeyJKBTZEMTHJZUOH-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.83
Rot. Bonds2

About 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 56668811) has the molecular formula C23H22ClNO and a molecular weight of 363.89 g/mol. Its IUPAC name is 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID56668811
Molecular FormulaC23H22ClNO
Molecular Weight363.89 g/mol
Exact Mass363.14
IUPAC Name7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O
InChIInChI=1S/C23H21NO.ClH/c24-22-14-13-20-18(16-7-3-1-4-8-16)11-12-19(21(20)15-23(22)25)17-9-5-2-6-10-17;/h1-12,22H,13-15,24H2;1H
InChIKeyJKBTZEMTHJZUOH-UHFFFAOYSA-N
XLogP4.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 56668811) is 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.NC1CCc2c(-c3ccccc3)ccc(-c3ccccc3)c2CC1=O.
What is the InChIKey of 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is JKBTZEMTHJZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO.ClH/c24-22-14-13-20-18(16-7-3-1-4-8-16)11-12-19(21(20)15-23(22)25)17-9-5-2-6-10-17;/h1-12,22H,13-15,24H2;1H.
What are the key properties of 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 56668811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).