N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene

C56H46N2 — CID 142356477

IUPACN'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene
SMILESC=N/C(=N/C(=C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1C1=C(CCC=C1)C21c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1
InChIInChI=1S/C44H34N2.C12H12/c1-27(28-24-25-32-29-14-5-9-19-35(29)43(2,3)40(32)26-28)46-42(45-4)34-18-13-23-39-41(34)33-17-8-12-22-38(33)44(39)36-20-10-6-15-30(36)31-16-7-11-21-37(31)44;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h5-11,13-21,23-26H,1,4,12,22H2,2-3H3;3-9H,2H2,1H3/b46-42+;
InChIKeyGJUJITOQVWDBLS-LQETXRKZSA-N
MW747.00 g/mol
LogP13.95
Rot. Bonds4

About N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene

N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene (PubChem CID 142356477) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene.

Molecular Properties

Compound NameN'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene
PubChem CID142356477
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC NameN'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene
SMILESC=N/C(=N/C(=C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1C1=C(CCC=C1)C21c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1
InChIInChI=1S/C44H34N2.C12H12/c1-27(28-24-25-32-29-14-5-9-19-35(29)43(2,3)40(32)26-28)46-42(45-4)34-18-13-23-39-41(34)33-17-8-12-22-38(33)44(39)36-20-10-6-15-30(36)31-16-7-11-21-37(31)44;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h5-11,13-21,23-26H,1,4,12,22H2,2-3H3;3-9H,2H2,1H3/b46-42+;
InChIKeyGJUJITOQVWDBLS-LQETXRKZSA-N
XLogP13.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 513.95
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'}

Analyze N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759
7-(9,9-dimethylfluoren-2-yl)-N'-(1-naphthalen-1-ylethenyl)-N-(1-naphthalen-1-ylethylidene)naphthalene-2-carboximidamide
CID 144939296
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
9,9-dimethyl-2-(2-naphthalen-2-ylethyl)fluorene;9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504361
N-[1-(7-ethylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)ethenyl]-1-[2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]benzimidazol-1-yl]ethanimine
CID 166990801
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
7-ethyl-9,9-dimethyl-N-[(methylideneamino)-(3-phenylphenyl)methylidene]-N'-[(3-phenylcyclohexa-2,4-dien-1-yl)methyl]fluorene-1-carboximidamide
CID 145237267
4-[4-[(9,9-dimethylfluoren-2-yl)-(6-ethylnaphthalen-2-yl)amino]phenyl]benzoic acid
CID 139978835
6-ethyl-10-methylspiro[1,2-dihydroacridine-9,9'-fluorene]
CID 130462116
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
hexakis(9,9-dimethylfluorene);ethylbenzene;bis(1-ethylnaphthalene);2-ethylnaphthalene;methanol;2-methylnaphthalene;naphthalene
CID 162050145

Frequently Asked Questions

What is the IUPAC name of N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene?
The IUPAC name of N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene (CID 142356477) is N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene.
What is the SMILES notation for N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene?
The canonical SMILES for N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene is C=N/C(=N/C(=C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1C1=C(CCC=C1)C21c2ccccc2-c2ccccc21.CCc1ccc2ccccc2c1.
What is the InChIKey of N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene?
The InChIKey is GJUJITOQVWDBLS-LQETXRKZSA-N. The full InChI is InChI=1S/C44H34N2.C12H12/c1-27(28-24-25-32-29-14-5-9-19-35(29)43(2,3)40(32)26-28)46-42(45-4)34-18-13-23-39-41(34)33-17-8-12-22-38(33)44(39)36-20-10-6-15-30(36)31-16-7-11-21-37(31)44;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h5-11,13-21,23-26H,1,4,12,22H2,2-3H3;3-9H,2H2,1H3/b46-42+;.
What are the key properties of N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene?
N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene has a molecular weight of 747.00 g/mol, XLogP of 13.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(9,9-dimethylfluoren-2-yl)ethenyl]-N-methylidenespiro[7,8-dihydrofluorene-9,9'-fluorene]-4-carboximidamide;2-ethylnaphthalene is sourced from PubChem (CID 142356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).