N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine

C26H21N3 — CID 59972283

IUPACN-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine
SMILESC=Nc1ccc(C(=C2C=CC(=NC)C=C2)c2ccc(N=C)c3ccccc23)cc1
InChIInChI=1S/C26H21N3/c1-27-20-12-8-18(9-13-20)26(19-10-14-21(28-2)15-11-19)24-16-17-25(29-3)23-7-5-4-6-22(23)24/h4-17H,1,3H2,2H3/b26-19-,28-21+
InChIKeyOHCJGPXNFVNAAJ-XQRHWJDCSA-N
MW375.48 g/mol
LogP6.50
Rot. Bonds4

About N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine

N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine (PubChem CID 59972283) has the molecular formula C26H21N3 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine
PubChem CID59972283
Molecular FormulaC26H21N3
Molecular Weight375.48 g/mol
Exact Mass375.17
IUPAC NameN-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine
SMILESC=Nc1ccc(C(=C2C=CC(=NC)C=C2)c2ccc(N=C)c3ccccc23)cc1
InChIInChI=1S/C26H21N3/c1-27-20-12-8-18(9-13-20)26(19-10-14-21(28-2)15-11-19)24-16-17-25(29-3)23-7-5-4-6-22(23)24/h4-17H,1,3H2,2H3/b26-19-,28-21+
InChIKeyOHCJGPXNFVNAAJ-XQRHWJDCSA-N
XLogP6.50
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine?
The IUPAC name of N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine (CID 59972283) is N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine is C=Nc1ccc(C(=C2C=CC(=NC)C=C2)c2ccc(N=C)c3ccccc23)cc1.
What is the InChIKey of N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine?
The InChIKey is OHCJGPXNFVNAAJ-XQRHWJDCSA-N. The full InChI is InChI=1S/C26H21N3/c1-27-20-12-8-18(9-13-20)26(19-10-14-21(28-2)15-11-19)24-16-17-25(29-3)23-7-5-4-6-22(23)24/h4-17H,1,3H2,2H3/b26-19-,28-21+.
What are the key properties of N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine?
N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine has a molecular weight of 375.48 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(methylideneamino)naphthalen-1-yl]-[4-(methylideneamino)phenyl]methylidene]cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 59972283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).