2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

C30H29N3O3 — CID 23795745

IUPAC2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
SMILESCCN(CC)c1ccc(C=Nc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1
InChIInChI=1S/C30H29N3O3/c1-5-33(6-2)24-13-7-21(8-14-24)20-32-30-27(19-31)28(22-9-15-25(34-3)16-10-22)29(36-30)23-11-17-26(35-4)18-12-23/h7-18,20H,5-6H2,1-4H3
InChIKeyBYNFVJJLOMTQGO-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.10
Rot. Bonds9

About 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile (PubChem CID 23795745) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
PubChem CID23795745
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
SMILESCCN(CC)c1ccc(C=Nc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1
InChIInChI=1S/C30H29N3O3/c1-5-33(6-2)24-13-7-21(8-14-24)20-32-30-27(19-31)28(22-9-15-25(34-3)16-10-22)29(36-30)23-11-17-26(35-4)18-12-23/h7-18,20H,5-6H2,1-4H3
InChIKeyBYNFVJJLOMTQGO-UHFFFAOYSA-N
XLogP7.10
TPSA70.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile?
The IUPAC name of 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile (CID 23795745) is 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile is CCN(CC)c1ccc(C=Nc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile?
The InChIKey is BYNFVJJLOMTQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-5-33(6-2)24-13-7-21(8-14-24)20-32-30-27(19-31)28(22-9-15-25(34-3)16-10-22)29(36-30)23-11-17-26(35-4)18-12-23/h7-18,20H,5-6H2,1-4H3.
What are the key properties of 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile?
2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile has a molecular weight of 479.58 g/mol, XLogP of 7.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile is sourced from PubChem (CID 23795745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).