(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole

C28H18N2 — CID 5379637

IUPAC(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole
SMILESc1ccc(C2=N/C(=C3/N=C(c4ccccc4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C28H18N2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27(29-25)28-24-18-10-8-16-22(24)26(30-28)20-13-5-2-6-14-20/h1-18H/b28-27+
InChIKeyIAKLYRNOCQDLRX-BYYHNAKLSA-N
MW382.47 g/mol
LogP6.21
Rot. Bonds2

About (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole

(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole (PubChem CID 5379637) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole.

Molecular Properties

Compound Name(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole
PubChem CID5379637
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole
SMILESc1ccc(C2=N/C(=C3/N=C(c4ccccc4)c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C28H18N2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27(29-25)28-24-18-10-8-16-22(24)26(30-28)20-13-5-2-6-14-20/h1-18H/b28-27+
InChIKeyIAKLYRNOCQDLRX-BYYHNAKLSA-N
XLogP6.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
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Benzylamine, N-(diphenylmethylene)-
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Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
3-fluoro-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614099
2,4,5-triphenyl-2H-imidazole
CID 1201557
29H, dilithium salt
CID 433865
2,2'-Bis(phenyliminomethyl)biphenyl
CID 4412933
1-Imino-2-phenyl-1H-inden-3-amine monohydrochloride
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CID 85614101

Frequently Asked Questions

What is the IUPAC name of (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole?
The IUPAC name of (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole (CID 5379637) is (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole.
What is the SMILES notation for (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole?
The canonical SMILES for (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole is c1ccc(C2=N/C(=C3/N=C(c4ccccc4)c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole?
The InChIKey is IAKLYRNOCQDLRX-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27(29-25)28-24-18-10-8-16-22(24)26(30-28)20-13-5-2-6-14-20/h1-18H/b28-27+.
What are the key properties of (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole?
(3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole has a molecular weight of 382.47 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-phenyl-3-(3-phenylisoindol-1-ylidene)isoindole is sourced from PubChem (CID 5379637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).