2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile

C39H32N2O3 — CID 126347735

IUPAC2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCCOc1cc(C=Nc2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C39H32N2O3/c1-4-42-36-22-28(16-21-35(36)43-25-32-10-7-9-29-8-5-6-11-33(29)32)24-41-39-34(23-40)37(30-17-12-26(2)13-18-30)38(44-39)31-19-14-27(3)15-20-31/h5-22,24H,4,25H2,1-3H3
InChIKeyFIFHFXYROZNNED-UHFFFAOYSA-N
MW576.70 g/mol
LogP9.98
Rot. Bonds9

About 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile

2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (PubChem CID 126347735) has the molecular formula C39H32N2O3 and a molecular weight of 576.70 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
PubChem CID126347735
Molecular FormulaC39H32N2O3
Molecular Weight576.70 g/mol
Exact Mass576.24
IUPAC Name2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
SMILESCCOc1cc(C=Nc2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C39H32N2O3/c1-4-42-36-22-28(16-21-35(36)43-25-32-10-7-9-29-8-5-6-11-33(29)32)24-41-39-34(23-40)37(30-17-12-26(2)13-18-30)38(44-39)31-19-14-27(3)15-20-31/h5-22,24H,4,25H2,1-3H3
InChIKeyFIFHFXYROZNNED-UHFFFAOYSA-N
XLogP9.98
TPSA67.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126350124
2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126346783
N-(2,4-dimethylphenyl)-1-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126205495
2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137073142
2-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059839
2-[[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-4,5-diphenylfuran-3-carbonitrile
CID 126149375
2-[(3,4-dihydroxyphenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 137149931
2-[(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126369539
1-[3-chloro-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-methylphenyl)methanimine
CID 126217219
2-[(4-iodophenyl)methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126370488
2-[[2-(cyanomethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile
CID 126357508
2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile
CID 137059625

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile (CID 126347735) is 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is CCOc1cc(C=Nc2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
The InChIKey is FIFHFXYROZNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2O3/c1-4-42-36-22-28(16-21-35(36)43-25-32-10-7-9-29-8-5-6-11-33(29)32)24-41-39-34(23-40)37(30-17-12-26(2)13-18-30)38(44-39)31-19-14-27(3)15-20-31/h5-22,24H,4,25H2,1-3H3.
What are the key properties of 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile?
2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile has a molecular weight of 576.70 g/mol, XLogP of 9.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4,5-bis(4-methylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 126347735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).