2-[2,6-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]pyran-4-ylidene]propanedinitrile

Systemtic Name: 2-[2,6-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]pyran-4-ylidene]propanedinitrile Openeye Name: 2-[2,6-bis[(E)-2-(9-hexylcarbazol-3-yl)vinyl]pyran-4-ylidene]propanedinitrile CAS Name: 2-[2,6-bis[(E)-2-(9-hexyl-3-carbazolyl)ethenyl]-4-pyranylidene]propanedinitrile IUPAC Name: 2-[2,6-bis[(E)-2-(9-hexylcarbazol-3-yl)ethenyl]pyran-4-ylidene]propanedinitrile Traditional Name: 2-[2,6-bis[(E)-2-(9-hexylcarbazol-3-yl)vinyl]pyran-4-ylidene]malononitrile Formula: C48H46N4O MolecularWeight: 694.90504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C=CC3=CC(=C(C#N)C#N)C=C(O3)C=CC4=CC5=C(C=C4)N(C6=CC=CC=C65)CCCCCC)C7=CC=CC=C71

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=CC(=C(C#N)C#N)C=C(O4)/C=C/C5=CC6=C(N(C7=CC=CC=C67)CCCCCC)C=C5

InChI

InChI=1S/C48H46N4O/c1-3-5-7-13-27-51-45-17-11-9-15-41(45)43-29-35(21-25-47(43)51)19-23-39-31-37(38(33-49)34-50)32-40(53-39)24-20-36-22-26-48-44(30-36)42-16-10-12-18-46(42)52(48)28-14-8-6-4-2/h9-12,15-26,29-32H,3-8,13-14,27-28H2,1-2H3/b23-19+,24-20+