N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

C64H50N4 — CID 137414898

IUPACN'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=CC(=C\C=C/C)/C(=N/Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C#N)ccc2-3)cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)/N=C(\N=C)c1ccccc1
InChIInChI=1S/C64H50N4/c1-6-8-20-45(7-2)62(68-61(66-5)46-21-12-9-13-22-46)67-42-44-35-49(47-30-33-55-54-32-29-43(41-65)37-58(54)63(3,4)59(55)39-47)38-50(36-44)48-31-34-56-53-27-18-19-28-57(53)64(60(56)40-48,51-23-14-10-15-24-51)52-25-16-11-17-26-52/h6-40H,2,5,42H2,1,3-4H3/b8-6-,45-20+,67-62-,68-61-
InChIKeyFEMBFARSLMDVFH-ONLAJBQFSA-N
MW875.13 g/mol
LogP15.30
Rot. Bonds10

About N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (PubChem CID 137414898) has the molecular formula C64H50N4 and a molecular weight of 875.13 g/mol. Its IUPAC name is N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
PubChem CID137414898
Molecular FormulaC64H50N4
Molecular Weight875.13 g/mol
Exact Mass874.40
IUPAC NameN'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=CC(=C\C=C/C)/C(=N/Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C#N)ccc2-3)cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)/N=C(\N=C)c1ccccc1
InChIInChI=1S/C64H50N4/c1-6-8-20-45(7-2)62(68-61(66-5)46-21-12-9-13-22-46)67-42-44-35-49(47-30-33-55-54-32-29-43(41-65)37-58(54)63(3,4)59(55)39-47)38-50(36-44)48-31-34-56-53-27-18-19-28-57(53)64(60(56)40-48,51-23-14-10-15-24-51)52-25-16-11-17-26-52/h6-40H,2,5,42H2,1,3-4H3/b8-6-,45-20+,67-62-,68-61-
InChIKeyFEMBFARSLMDVFH-ONLAJBQFSA-N
XLogP15.30
TPSA60.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 515.30
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide with MolForge

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Related Compounds

N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
9,9-diphenyl-7-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]fluorene-2-carbonitrile
CID 158885257
7-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 162776206
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
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
7-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171422096
2-[3-[3-[9-[3-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]phenyl]fluoren-9-yl]phenyl]-5-phenylphenyl]-9,9-dimethylfluorene
CID 140873520
(2E,4Z)-N'-[4-(4-cyanophenyl)-2,5-dimethylphenyl]-2-ethenyl-N-methylidenehexa-2,4-dienimidamide
CID 144500657
7-[3-(4,6-diphenylpyrimidin-2-yl)-5-pyridin-2-ylphenyl]-9,9-diphenylfluorene-2-carbonitrile
CID 171421517
9,9-dimethyl-7-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]fluorene-2-carbonitrile
CID 162775748
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381

Frequently Asked Questions

What is the IUPAC name of N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (CID 137414898) is N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is C=CC(=C\C=C/C)/C(=N/Cc1cc(-c2ccc3c(c2)C(C)(C)c2cc(C#N)ccc2-3)cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)/N=C(\N=C)c1ccccc1.
What is the InChIKey of N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is FEMBFARSLMDVFH-ONLAJBQFSA-N. The full InChI is InChI=1S/C64H50N4/c1-6-8-20-45(7-2)62(68-61(66-5)46-21-12-9-13-22-46)67-42-44-35-49(47-30-33-55-54-32-29-43(41-65)37-58(54)63(3,4)59(55)39-47)38-50(36-44)48-31-34-56-53-27-18-19-28-57(53)64(60(56)40-48,51-23-14-10-15-24-51)52-25-16-11-17-26-52/h6-40H,2,5,42H2,1,3-4H3/b8-6-,45-20+,67-62-,68-61-.
What are the key properties of N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 875.13 g/mol, XLogP of 15.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[[3-(7-cyano-9,9-dimethylfluoren-2-yl)-5-(9,9-diphenylfluoren-2-yl)phenyl]methyl]-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 137414898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).