N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide

C43H34N2 — CID 174316786

IUPACN-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESC=N/C(=N\Cc1cccc(-c2ccccc2-c2ccccc2-c2cc3ccccc3cc2-c2ccccc2)c1)C1=CCCC=C1
InChIInChI=1S/C43H34N2/c1-44-43(33-18-6-3-7-19-33)45-30-31-15-14-22-36(27-31)37-23-10-11-24-38(37)39-25-12-13-26-40(39)42-29-35-21-9-8-20-34(35)28-41(42)32-16-4-2-5-17-32/h2,4-6,8-29H,1,3,7,30H2/b45-43-
InChIKeyKLHQFIDFRKFISV-RIKMZEQFSA-N
MW578.76 g/mol
LogP11.38
Rot. Bonds7

About N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide

N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 174316786) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
PubChem CID174316786
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC NameN-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESC=N/C(=N\Cc1cccc(-c2ccccc2-c2ccccc2-c2cc3ccccc3cc2-c2ccccc2)c1)C1=CCCC=C1
InChIInChI=1S/C43H34N2/c1-44-43(33-18-6-3-7-19-33)45-30-31-15-14-22-36(27-31)37-23-10-11-24-38(37)39-25-12-13-26-40(39)42-29-35-21-9-8-20-34(35)28-41(42)32-16-4-2-5-17-32/h2,4-6,8-29H,1,3,7,30H2/b45-43-
InChIKeyKLHQFIDFRKFISV-RIKMZEQFSA-N
XLogP11.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.38
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

4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 145265295
N'-[C-cyclohexa-1,5-dien-1-yl-N-[(6-methyl-9H-fluoren-1-yl)methyl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 144953404
N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 142425048
N-benzylmethanimine;N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
CID 142425047
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-N-methylidene-4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-carboximidamide
CID 170423096
4-[3-(cyclohexa-1,5-dien-1-ylmethyl)phenyl]-9-methyl-9-phenylfluorene
CID 142399123
N'-[[4-(1,9b-dihydrodibenzofuran-3-yl)phenyl]methyl]-N-[cyclohexa-1,5-dien-1-yl-(methylideneamino)methylidene]-10-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-carboximidamide
CID 170019841
N-[(3Z)-1-amino-2-methylidenehexa-3,5-dienylidene]-N'-[[6'-(3-quinolin-8-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]methyl]cyclohexa-1,5-diene-1-carboximidamide
CID 153486807
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide (CID 174316786) is N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide is C=N/C(=N\Cc1cccc(-c2ccccc2-c2ccccc2-c2cc3ccccc3cc2-c2ccccc2)c1)C1=CCCC=C1.
What is the InChIKey of N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is KLHQFIDFRKFISV-RIKMZEQFSA-N. The full InChI is InChI=1S/C43H34N2/c1-44-43(33-18-6-3-7-19-33)45-30-31-15-14-22-36(27-31)37-23-10-11-24-38(37)39-25-12-13-26-40(39)42-29-35-21-9-8-20-34(35)28-41(42)32-16-4-2-5-17-32/h2,4-6,8-29H,1,3,7,30H2/b45-43-.
What are the key properties of N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide?
N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 578.76 g/mol, XLogP of 11.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[[3-[2-[2-(3-phenylnaphthalen-2-yl)phenyl]phenyl]phenyl]methyl]cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 174316786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).