N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide

C54H42N2 — CID 144939324

IUPACN'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1ccc2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2c1
InChIInChI=1S/C54H42N2/c1-36(41-20-13-21-43(32-41)38-16-7-5-8-17-38)55-53(46-23-14-22-44(34-46)39-18-9-6-10-19-39)56-37(2)42-30-28-40-29-31-45(35-47(40)33-42)48-25-15-27-51-52(48)49-24-11-12-26-50(49)54(51,3)4/h5-35H,2H2,1,3-4H3/b55-36+,56-53-
InChIKeyJXHYMDZLPMENLS-CQXOKHAPSA-N
MW718.94 g/mol
LogP14.07
Rot. Bonds7

About N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide

N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide (PubChem CID 144939324) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
PubChem CID144939324
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1ccc2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2c1
InChIInChI=1S/C54H42N2/c1-36(41-20-13-21-43(32-41)38-16-7-5-8-17-38)55-53(46-23-14-22-44(34-46)39-18-9-6-10-19-39)56-37(2)42-30-28-40-29-31-45(35-47(40)33-42)48-25-15-27-51-52(48)49-24-11-12-26-50(49)54(51,3)4/h5-35H,2H2,1,3-4H3/b55-36+,56-53-
InChIKeyJXHYMDZLPMENLS-CQXOKHAPSA-N
XLogP14.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.07
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

7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
CID 144939296
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
4-(4-buta-1,3-dien-2-ylphenyl)-9,9-dimethylfluorene
CID 153369240
4'-[3-[3-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-5-phenylphenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177115855
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
2-[3,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150850
9-(9,9-dimethylfluoren-4-yl)-10-(2-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 59196370
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
N'-(1-phenylethenyl)-N-[1-[2-phenyl-3-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]ethylidene]benzenecarboximidamide
CID 174328011
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[6-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-2-phenylpyrimidine
CID 176793584

Frequently Asked Questions

What is the IUPAC name of N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide?
The IUPAC name of N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide (CID 144939324) is N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide?
The canonical SMILES for N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1)c1ccc2ccc(-c3cccc4c3-c3ccccc3C4(C)C)cc2c1.
What is the InChIKey of N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide?
The InChIKey is JXHYMDZLPMENLS-CQXOKHAPSA-N. The full InChI is InChI=1S/C54H42N2/c1-36(41-20-13-21-43(32-41)38-16-7-5-8-17-38)55-53(46-23-14-22-44(34-46)39-18-9-6-10-19-39)56-37(2)42-30-28-40-29-31-45(35-47(40)33-42)48-25-15-27-51-52(48)49-24-11-12-26-50(49)54(51,3)4/h5-35H,2H2,1,3-4H3/b55-36+,56-53-.
What are the key properties of N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide?
N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide has a molecular weight of 718.94 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide is sourced from PubChem (CID 144939324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).