4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile

C30H18N4 — CID 11750882

IUPAC4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C30H18N4/c31-17-23-13-15-29(27-7-3-1-5-25(23)27)33-19-21-9-11-22(12-10-21)20-34-30-16-14-24(18-32)26-6-2-4-8-28(26)30/h1-16,19-20H/b33-19+,34-20+
InChIKeyMOOMQAGHMYSFNZ-ZXHXELASSA-N
MW434.50 g/mol
LogP7.24
Rot. Bonds4

About 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile

4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile (PubChem CID 11750882) has the molecular formula C30H18N4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile
PubChem CID11750882
Molecular FormulaC30H18N4
Molecular Weight434.50 g/mol
Exact Mass434.15
IUPAC Name4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)c4ccccc34)cc2)c2ccccc12
InChIInChI=1S/C30H18N4/c31-17-23-13-15-29(27-7-3-1-5-25(23)27)33-19-21-9-11-22(12-10-21)20-34-30-16-14-24(18-32)26-6-2-4-8-28(26)30/h1-16,19-20H/b33-19+,34-20+
InChIKeyMOOMQAGHMYSFNZ-ZXHXELASSA-N
XLogP7.24
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile?
The IUPAC name of 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile (CID 11750882) is 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile.
What is the SMILES notation for 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile?
The canonical SMILES for 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile is N#Cc1ccc(/N=C/c2ccc(/C=N/c3ccc(C#N)c4ccccc34)cc2)c2ccccc12.
What is the InChIKey of 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile?
The InChIKey is MOOMQAGHMYSFNZ-ZXHXELASSA-N. The full InChI is InChI=1S/C30H18N4/c31-17-23-13-15-29(27-7-3-1-5-25(23)27)33-19-21-9-11-22(12-10-21)20-34-30-16-14-24(18-32)26-6-2-4-8-28(26)30/h1-16,19-20H/b33-19+,34-20+.
What are the key properties of 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile?
4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile has a molecular weight of 434.50 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile is sourced from PubChem (CID 11750882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).