2,5-dimethyl-1,3-diphenylisoindole

C22H19N — CID 4267799

IUPAC2,5-dimethyl-1,3-diphenylisoindole
SMILESCc1ccc2c(-c3ccccc3)n(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19N/c1-16-13-14-19-20(15-16)22(18-11-7-4-8-12-18)23(2)21(19)17-9-5-3-6-10-17/h3-15H,1-2H3
InChIKeyDPDPWNBOTBEDFN-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.82
Rot. Bonds2

About 2,5-dimethyl-1,3-diphenylisoindole

2,5-dimethyl-1,3-diphenylisoindole (PubChem CID 4267799) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-diphenylisoindole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-diphenylisoindole
PubChem CID4267799
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,5-dimethyl-1,3-diphenylisoindole
SMILESCc1ccc2c(-c3ccccc3)n(C)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19N/c1-16-13-14-19-20(15-16)22(18-11-7-4-8-12-18)23(2)21(19)17-9-5-3-6-10-17/h3-15H,1-2H3
InChIKeyDPDPWNBOTBEDFN-UHFFFAOYSA-N
XLogP5.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,3-diphenylisoindole
CID 3710956
2-(5-methyl-1,3-diphenylisoindol-2-yl)aniline
CID 122370074
3,9-dimethyl-6-phenylcarbazole
CID 59499447
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
2,9-dimethyl-10-phenylanthracene
CID 58435289
2,5,6-trimethyl-1,3-diphenyl-4,7-dihydroisoindole
CID 10710333
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2,7-dimethyltriphenylene
CID 23261750
5,10-dimethyl-2-[2-methyl-10-(4-phenylphenyl)anthracen-9-yl]phenazine
CID 59195172
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
2,9,10-trimethylphenanthrene
CID 11345039
2,5-dimethyl-12-phenyltetracene
CID 160669382

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-diphenylisoindole?
The IUPAC name of 2,5-dimethyl-1,3-diphenylisoindole (CID 4267799) is 2,5-dimethyl-1,3-diphenylisoindole.
What is the SMILES notation for 2,5-dimethyl-1,3-diphenylisoindole?
The canonical SMILES for 2,5-dimethyl-1,3-diphenylisoindole is Cc1ccc2c(-c3ccccc3)n(C)c(-c3ccccc3)c2c1.
What is the InChIKey of 2,5-dimethyl-1,3-diphenylisoindole?
The InChIKey is DPDPWNBOTBEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16-13-14-19-20(15-16)22(18-11-7-4-8-12-18)23(2)21(19)17-9-5-3-6-10-17/h3-15H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-diphenylisoindole?
2,5-dimethyl-1,3-diphenylisoindole has a molecular weight of 297.40 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-diphenylisoindole is sourced from PubChem (CID 4267799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).