N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide

C30H24N2 — CID 145108666

IUPACN-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide
SMILESC=N/C(=N\C(=C)c1ccccc1)c1ccc2c(c1)-c1cc(-c3ccc(C)cc3)ccc1C2
InChIInChI=1S/C30H24N2/c1-20-9-11-23(12-10-20)24-13-14-25-17-26-15-16-27(19-29(26)28(25)18-24)30(31-3)32-21(2)22-7-5-4-6-8-22/h4-16,18-19H,2-3,17H2,1H3/b32-30-
InChIKeyAHQNZKJZGVCZEE-GCUVURNUSA-N
MW412.54 g/mol
LogP7.35
Rot. Bonds4

About N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide

N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide (PubChem CID 145108666) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide.

Molecular Properties

Compound NameN-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide
PubChem CID145108666
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC NameN-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide
SMILESC=N/C(=N\C(=C)c1ccccc1)c1ccc2c(c1)-c1cc(-c3ccc(C)cc3)ccc1C2
InChIInChI=1S/C30H24N2/c1-20-9-11-23(12-10-20)24-13-14-25-17-26-15-16-27(19-29(26)28(25)18-24)30(31-3)32-21(2)22-7-5-4-6-8-22/h4-16,18-19H,2-3,17H2,1H3/b32-30-
InChIKeyAHQNZKJZGVCZEE-GCUVURNUSA-N
XLogP7.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
3,6-bis(prop-1-en-2-yl)-9H-fluorene
CID 91033866
3-(6-methylnaphthalen-2-yl)-9H-fluorene
CID 123870070
1-methyl-6-phenyl-9H-fluorene
CID 157259892
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
1-ethyl-2-(2-methylphenyl)benzene;(E)-3-[3-(4-methylphenyl)phenyl]-1-phenyl-N-(1-phenylethenyl)but-2-en-1-imine
CID 143905972
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 144953404
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
N,4-diphenyl-N-[4-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline;2-methyl-N-[4-[6-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-(2-methylphenyl)aniline;2-methyl-N-[4-[6-[4-(N-(2-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline;bis(4-methyl-N-[4-[6-[4-(N-(4-methylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]-N-phenylaniline)
CID 157494177

Frequently Asked Questions

What is the IUPAC name of N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide?
The IUPAC name of N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide (CID 145108666) is N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide.
What is the SMILES notation for N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide?
The canonical SMILES for N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide is C=N/C(=N\C(=C)c1ccccc1)c1ccc2c(c1)-c1cc(-c3ccc(C)cc3)ccc1C2.
What is the InChIKey of N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide?
The InChIKey is AHQNZKJZGVCZEE-GCUVURNUSA-N. The full InChI is InChI=1S/C30H24N2/c1-20-9-11-23(12-10-20)24-13-14-25-17-26-15-16-27(19-29(26)28(25)18-24)30(31-3)32-21(2)22-7-5-4-6-8-22/h4-16,18-19H,2-3,17H2,1H3/b32-30-.
What are the key properties of N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide?
N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide has a molecular weight of 412.54 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide is sourced from PubChem (CID 145108666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).