N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide

C47H35N3 — CID 138642968

IUPACN-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H35N3/c1-48-45(38-30-28-36(29-31-38)35-17-5-2-6-18-35)50-46(37-19-7-3-8-20-37)49-33-34-16-15-23-40(32-34)47(39-21-9-4-10-22-39)43-26-13-11-24-41(43)42-25-12-14-27-44(42)47/h2-32H,1,33H2/b49-46-,50-45-
InChIKeyCCGVHUJPWAADIF-TZJVSMDNSA-N
MW641.82 g/mol
LogP10.81
Rot. Bonds7

About N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide

N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide (PubChem CID 138642968) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
PubChem CID138642968
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC NameN-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C47H35N3/c1-48-45(38-30-28-36(29-31-38)35-17-5-2-6-18-35)50-46(37-19-7-3-8-20-37)49-33-34-16-15-23-40(32-34)47(39-21-9-4-10-22-39)43-26-13-11-24-41(43)42-25-12-14-27-44(42)47/h2-32H,1,33H2/b49-46-,50-45-
InChIKeyCCGVHUJPWAADIF-TZJVSMDNSA-N
XLogP10.81
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 510.81
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'-[N-[[7'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]methyl]-C-(4-phenylphenyl)carbonimidoyl]-N-methylidene-4-phenylbenzenecarboximidamide
CID 139376532
4-phenyl-N'-[C-phenyl-N-[[3-[(2,9,9-triphenylfluoren-3-yl)amino]phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 121323520
N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
CID 178089674
N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 170096159
N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
CID 135245534
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
CID 145291891
CID 145291891
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
9-[[3-[9-[3-[(3,6-diphenylcarbazol-9-yl)methyl]phenyl]fluoren-9-yl]phenyl]methyl]-3,6-diphenylcarbazole
CID 58883531
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482

Frequently Asked Questions

What is the IUPAC name of N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide?
The IUPAC name of N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide (CID 138642968) is N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide?
The InChIKey is CCGVHUJPWAADIF-TZJVSMDNSA-N. The full InChI is InChI=1S/C47H35N3/c1-48-45(38-30-28-36(29-31-38)35-17-5-2-6-18-35)50-46(37-19-7-3-8-20-37)49-33-34-16-15-23-40(32-34)47(39-21-9-4-10-22-39)43-26-13-11-24-41(43)42-25-12-14-27-44(42)47/h2-32H,1,33H2/b49-46-,50-45-.
What are the key properties of N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide?
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide has a molecular weight of 641.82 g/mol, XLogP of 10.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 138642968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).