N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

C30H27N3 — CID 144953404

IUPACN'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc2c1Cc1ccc(C)cc1-2)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C30H27N3/c1-21-16-17-24-19-28-25(14-9-15-26(28)27(24)18-21)20-32-30(23-12-7-4-8-13-23)33-29(31-2)22-10-5-3-6-11-22/h3,5-7,9-18H,2,4,8,19-20H2,1H3/b32-30-,33-29-
InChIKeyLVDXCRBFIKIJCK-UHLGJUBNSA-N
MW429.57 g/mol
LogP6.89
Rot. Bonds4

About N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide

N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (PubChem CID 144953404) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
PubChem CID144953404
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC NameN'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1cccc2c1Cc1ccc(C)cc1-2)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C30H27N3/c1-21-16-17-24-19-28-25(14-9-15-26(28)27(24)18-21)20-32-30(23-12-7-4-8-13-23)33-29(31-2)22-10-5-3-6-11-22/h3,5-7,9-18H,2,4,8,19-20H2,1H3/b32-30-,33-29-
InChIKeyLVDXCRBFIKIJCK-UHLGJUBNSA-N
XLogP6.89
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 56.89
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-benzyl-C-cyclohexa-1,3-dien-1-ylcarbonimidoyl)-6-methyl-N-methylidene-9H-fluorene-1-carboximidamide;2'-methyl-3'-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144953469
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
CID 174316786
N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
CID 145442525
N-methylidene-6-(4-methylphenyl)-N'-(1-phenylethenyl)-9H-fluorene-3-carboximidamide
CID 145108666
N'-(cyclohexa-1,5-dien-1-ylmethyl)-4-[11-[(2Z,4Z)-hepta-2,4,6-trienyl]benzo[a]fluoren-11-yl]-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide;ethane
CID 145186871
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
N-methylidene-4-phenyl-N'-[C-(4-phenylphenyl)-N-[[8-(N-(4-phenylphenyl)anilino)-9H-fluoren-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 170096159
N-methylidene-N'-[C-phenyl-N-[[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 144781998
CID 145291891
CID 145291891
1-iodo-6-methyl-9H-fluorene
CID 146386961

Frequently Asked Questions

What is the IUPAC name of N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide (CID 144953404) is N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\C(=N/Cc1cccc2c1Cc1ccc(C)cc1-2)C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is LVDXCRBFIKIJCK-UHLGJUBNSA-N. The full InChI is InChI=1S/C30H27N3/c1-21-16-17-24-19-28-25(14-9-15-26(28)27(24)18-21)20-32-30(23-12-7-4-8-13-23)33-29(31-2)22-10-5-3-6-11-22/h3,5-7,9-18H,2,4,8,19-20H2,1H3/b32-30-,33-29-.
What are the key properties of N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide?
N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 429.57 g/mol, XLogP of 6.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 144953404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).