N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide

C59H44N4 — CID 170096159

IUPACN-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccc2c(c1)Cc1c-2cccc1N(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C59H44N4/c1-60-58(49-30-26-46(27-31-49)43-15-6-2-7-16-43)62-59(50-32-28-47(29-33-50)44-17-8-3-9-18-44)61-41-42-25-38-54-51(39-42)40-56-55(54)23-14-24-57(56)63(52-21-12-5-13-22-52)53-36-34-48(35-37-53)45-19-10-4-11-20-45/h2-39H,1,40-41H2/b61-59-,62-58-
InChIKeyFUTJAOUUEMWLAH-XLWGLSFKSA-N
MW809.03 g/mol
LogP14.82
Rot. Bonds10

About N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide

N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide (PubChem CID 170096159) has the molecular formula C59H44N4 and a molecular weight of 809.03 g/mol. Its IUPAC name is N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
PubChem CID170096159
Molecular FormulaC59H44N4
Molecular Weight809.03 g/mol
Exact Mass808.36
IUPAC NameN-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccc2c(c1)Cc1c-2cccc1N(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C59H44N4/c1-60-58(49-30-26-46(27-31-49)43-15-6-2-7-16-43)62-59(50-32-28-47(29-33-50)44-17-8-3-9-18-44)61-41-42-25-38-54-51(39-42)40-56-55(54)23-14-24-57(56)63(52-21-12-5-13-22-52)53-36-34-48(35-37-53)45-19-10-4-11-20-45/h2-39H,1,40-41H2/b61-59-,62-58-
InChIKeyFUTJAOUUEMWLAH-XLWGLSFKSA-N
XLogP14.82
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.03
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
ethane;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-phenyl-9H-fluoren-1-amine
CID 159210073
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
N-naphthalen-1-yl-N-[4-[1-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-2-yl]phenyl]-9H-fluoren-1-amine
CID 166008466
N-(9H-fluoren-1-yl)-N-(4-phenylphenyl)chrysen-1-amine
CID 174308486
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]-9H-fluorene-1,6-diamine
CID 154020367
1-N,6-N-bis(9H-fluoren-1-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166866292
11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzo[a]fluoren-9-amine
CID 170538869
11-(N-(4-phenylphenyl)anilino)-12,14-dihydro-7H-pentacen-5-one
CID 164850110
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 159926574
4-N-naphthalen-1-yl-4-N-phenyl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;2-N-naphthalen-1-yl-2-N,9,9-triphenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158884424

Frequently Asked Questions

What is the IUPAC name of N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The IUPAC name of N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide (CID 170096159) is N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccc2c(c1)Cc1c-2cccc1N(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide?
The InChIKey is FUTJAOUUEMWLAH-XLWGLSFKSA-N. The full InChI is InChI=1S/C59H44N4/c1-60-58(49-30-26-46(27-31-49)43-15-6-2-7-16-43)62-59(50-32-28-47(29-33-50)44-17-8-3-9-18-44)61-41-42-25-38-54-51(39-42)40-56-55(54)23-14-24-57(56)63(52-21-12-5-13-22-52)53-36-34-48(35-37-53)45-19-10-4-11-20-45/h2-39H,1,40-41H2/b61-59-,62-58-.
What are the key properties of N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide?
N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide has a molecular weight of 809.03 g/mol, XLogP of 14.82, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 170096159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).