(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole

C31H26N2 — CID 88971461

IUPAC(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole
SMILESCc1ccc(C2=N/C(=C\C3=C4C=CC=CC4C(c4ccc(C)cc4)N3)c3ccccc32)cc1
InChIInChI=1S/C31H26N2/c1-20-11-15-22(16-12-20)30-26-9-5-3-7-24(26)28(32-30)19-29-25-8-4-6-10-27(25)31(33-29)23-17-13-21(2)14-18-23/h3-19,26,30,32H,1-2H3/b29-19-
InChIKeyOKNHWHONFFGRKG-CEUNXORHSA-N
MW426.56 g/mol
LogP6.84
Rot. Bonds3

About (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole

(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole (PubChem CID 88971461) has the molecular formula C31H26N2 and a molecular weight of 426.56 g/mol. Its IUPAC name is (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole.

Molecular Properties

Compound Name(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole
PubChem CID88971461
Molecular FormulaC31H26N2
Molecular Weight426.56 g/mol
Exact Mass426.21
IUPAC Name(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole
SMILESCc1ccc(C2=N/C(=C\C3=C4C=CC=CC4C(c4ccc(C)cc4)N3)c3ccccc32)cc1
InChIInChI=1S/C31H26N2/c1-20-11-15-22(16-12-20)30-26-9-5-3-7-24(26)28(32-30)19-29-25-8-4-6-10-27(25)31(33-29)23-17-13-21(2)14-18-23/h3-19,26,30,32H,1-2H3/b29-19-
InChIKeyOKNHWHONFFGRKG-CEUNXORHSA-N
XLogP6.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole with MolForge

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Related Compounds

N-[(4-phenylphenyl)methyl]-2-(2-propan-2-ylphenyl)-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-imine
CID 139208753
2-[4-(4-carbamimidoylphenyl)phenyl]-3a,7a-dihydro-1H-indole-5-carboximidamide
CID 164619660
2-Oxo-5-phenyl-4-(4-tolyl)-1,2-dihydro-5H-indeno[1,2-d]pyrimidine
CID 576591
Dihydrotetrabenzporphin
CID 87483055
(E)-3-methyl-2,6-diphenyl-N-[(E)-1-phenylethylideneamino]piperidin-4-imine
CID 76333829
difluoro-[1-(4-methylphenyl)-3-[(Z)-[5-(4-methylphenyl)-3-phenylpyrrol-2-ylidene]methyl]-1,7a-dihydroisoindol-2-yl]borane
CID 88971462
[3-[(Z)-[3,5-bis(4-methylphenyl)pyrrol-2-ylidene]methyl]-5-methyl-1-(4-methylphenyl)-1,7a-dihydroisoindol-2-yl]-difluoroborane
CID 88971463
difluoro-[1-(4-methylphenyl)-3-[(Z)-[3-(4-methylphenyl)-5-phenylpyrrol-2-ylidene]methyl]-1,7a-dihydroisoindol-2-yl]borane
CID 88971470
5-[4-(2-fluoro-2-methylpropyl)phenyl]-3-[2-(5-methylidenepyrrolidin-3-yl)ethyl]-1H-isoindole
CID 134255155
5-[(E)-2-cyclopropyl-1-[4-[[[(2E)-4-(methylamino)penta-2,4-dienyl]amino]methyl]phenyl]-2-phenylethenyl]-N,2-dimethylbenzenecarboximidoyl fluoride
CID 134555749
N-[3-(3,4-difluorophenyl)prop-1-en-2-yl]-2-[[6-methyl-2-(methylideneamino)-3,4-dihydronaphthalen-1-yl]imino]-4-phenylbutan-1-amine
CID 143000826
2-[C-[5-[3-[(cyclopentylmethylamino)methyl]-5-methylphenyl]-4-fluoro-2-methylphenyl]-N-ethylcarbonimidoyl]-5-(3-fluorophenyl)-4-methylidene-1,9-dihydrocyclohepta[b]pyridin-8-amine
CID 145036551

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole?
The IUPAC name of (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole (CID 88971461) is (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole.
What is the SMILES notation for (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole?
The canonical SMILES for (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole is Cc1ccc(C2=N/C(=C\C3=C4C=CC=CC4C(c4ccc(C)cc4)N3)c3ccccc32)cc1.
What is the InChIKey of (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole?
The InChIKey is OKNHWHONFFGRKG-CEUNXORHSA-N. The full InChI is InChI=1S/C31H26N2/c1-20-11-15-22(16-12-20)30-26-9-5-3-7-24(26)28(32-30)19-29-25-8-4-6-10-27(25)31(33-29)23-17-13-21(2)14-18-23/h3-19,26,30,32H,1-2H3/b29-19-.
What are the key properties of (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole?
(3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole has a molecular weight of 426.56 g/mol, XLogP of 6.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(4-methylphenyl)-3-[[3-(4-methylphenyl)-3,3a-dihydro-2H-isoindol-1-yl]methylidene]isoindole is sourced from PubChem (CID 88971461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).