7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide

C45H41N3 — CID 145237267

IUPAC7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide
SMILESC=N/C(=N\C(=N/CC1C=C(c2ccccc2)C=CC1)c1cccc2c1C(C)(C)c1cc(CC)ccc1-2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H41N3/c1-5-31-25-26-38-39-23-14-24-40(42(39)45(2,3)41(38)28-31)44(47-30-32-15-12-20-35(27-32)33-16-8-6-9-17-33)48-43(46-4)37-22-13-21-36(29-37)34-18-10-7-11-19-34/h6-14,16-29,32H,4-5,15,30H2,1-3H3/b47-44-,48-43-
InChIKeySYEXQPPZYJLKJI-ZMWYFLLVSA-N
MW623.84 g/mol
LogP10.78
Rot. Bonds7

About 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide

7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide (PubChem CID 145237267) has the molecular formula C45H41N3 and a molecular weight of 623.84 g/mol. Its IUPAC name is 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide.

Molecular Properties

Compound Name7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide
PubChem CID145237267
Molecular FormulaC45H41N3
Molecular Weight623.84 g/mol
Exact Mass623.33
IUPAC Name7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide
SMILESC=N/C(=N\C(=N/CC1C=C(c2ccccc2)C=CC1)c1cccc2c1C(C)(C)c1cc(CC)ccc1-2)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H41N3/c1-5-31-25-26-38-39-23-14-24-40(42(39)45(2,3)41(38)28-31)44(47-30-32-15-12-20-35(27-32)33-16-8-6-9-17-33)48-43(46-4)37-22-13-21-36(29-37)34-18-10-7-11-19-34/h6-14,16-29,32H,4-5,15,30H2,1-3H3/b47-44-,48-43-
InChIKeySYEXQPPZYJLKJI-ZMWYFLLVSA-N
XLogP10.78
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 510.78
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

N-[(methylideneamino)-(6-phenylnaphthalen-2-yl)methylidene]-N'-(naphthalen-2-ylmethyl)-5-phenylnaphtho[2,1-b][1]benzofuran-11-carboximidamide
CID 167144365
N'-[N-benzyl-C-(3-phenylphenyl)carbonimidoyl]-11-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-4-methyl-N-methylidene-4,7-dihydro-3H-benzo[g]fluorene-9-carboximidamide
CID 170022446
N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene
CID 142356477
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
ethane;1-ethyl-4-phenylbenzene;2,6,6,8,12,12-hexamethylindeno[1,2-b]fluorene;1-methyl-4-phenylbenzene;toluene;2,9,9-trimethylfluorene
CID 143843948
CID 145291891
CID 145291891
2-(9,9-dimethyl-7-phenylfluoren-1-yl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 126544505
4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 145265295
7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
CID 144939296

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide?
The IUPAC name of 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide (CID 145237267) is 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide.
What is the SMILES notation for 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide?
The canonical SMILES for 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide is C=N/C(=N\C(=N/CC1C=C(c2ccccc2)C=CC1)c1cccc2c1C(C)(C)c1cc(CC)ccc1-2)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide?
The InChIKey is SYEXQPPZYJLKJI-ZMWYFLLVSA-N. The full InChI is InChI=1S/C45H41N3/c1-5-31-25-26-38-39-23-14-24-40(42(39)45(2,3)41(38)28-31)44(47-30-32-15-12-20-35(27-32)33-16-8-6-9-17-33)48-43(46-4)37-22-13-21-36(29-37)34-18-10-7-11-19-34/h6-14,16-29,32H,4-5,15,30H2,1-3H3/b47-44-,48-43-.
What are the key properties of 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide?
7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide has a molecular weight of 623.84 g/mol, XLogP of 10.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide is sourced from PubChem (CID 145237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).