N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine

C26H25N — CID 23015340

IUPACN-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILESCC1=C(C)C(C)C(c2ccc3ccccc3c2/C=N/c2ccccc2)=C1C
InChIInChI=1S/C26H25N/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-22-11-6-5-7-12-22/h5-16,19H,1-4H3/b27-16+
InChIKeyUWXSGQILSKPHJR-JVWAILMASA-N
MW351.49 g/mol
LogP7.35
Rot. Bonds3

About N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine

N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (PubChem CID 23015340) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
PubChem CID23015340
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC NameN-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
SMILESCC1=C(C)C(C)C(c2ccc3ccccc3c2/C=N/c2ccccc2)=C1C
InChIInChI=1S/C26H25N/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-22-11-6-5-7-12-22/h5-16,19H,1-4H3/b27-16+
InChIKeyUWXSGQILSKPHJR-JVWAILMASA-N
XLogP7.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The IUPAC name of N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine (CID 23015340) is N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine.
What is the SMILES notation for N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The canonical SMILES for N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is CC1=C(C)C(C)C(c2ccc3ccccc3c2/C=N/c2ccccc2)=C1C.
What is the InChIKey of N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
The InChIKey is UWXSGQILSKPHJR-JVWAILMASA-N. The full InChI is InChI=1S/C26H25N/c1-17-18(2)20(4)26(19(17)3)24-15-14-21-10-8-9-13-23(21)25(24)16-27-22-11-6-5-7-12-22/h5-16,19H,1-4H3/b27-16+.
What are the key properties of N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine?
N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine has a molecular weight of 351.49 g/mol, XLogP of 7.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine is sourced from PubChem (CID 23015340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).