1,3-diphenyl-2,3-dihydro-1H-isoindole

C20H17N — CID 606734

IUPAC1,3-diphenyl-2,3-dihydro-1H-isoindole
SMILESc1ccc(C2NC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H
InChIKeyMNWVQMKBLDPGPW-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.47
Rot. Bonds2

About 1,3-diphenyl-2,3-dihydro-1H-isoindole

1,3-diphenyl-2,3-dihydro-1H-isoindole (PubChem CID 606734) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,3-diphenyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1,3-diphenyl-2,3-dihydro-1H-isoindole
PubChem CID606734
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name1,3-diphenyl-2,3-dihydro-1H-isoindole
SMILESc1ccc(C2NC(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H
InChIKeyMNWVQMKBLDPGPW-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1,3-diphenyl-2,3-dihydro-1H-isoindole (CID 606734) is 1,3-diphenyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1,3-diphenyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1,3-diphenyl-2,3-dihydro-1H-isoindole is c1ccc(C2NC(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1,3-diphenyl-2,3-dihydro-1H-isoindole?
The InChIKey is MNWVQMKBLDPGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H.
What are the key properties of 1,3-diphenyl-2,3-dihydro-1H-isoindole?
1,3-diphenyl-2,3-dihydro-1H-isoindole has a molecular weight of 271.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 606734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).