N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide

C50H40N4 — CID 146647292

IUPACN-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)C(CC)Cc1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C50H40N4/c1-2-36(48(41-22-11-5-12-23-41)54-49(51)42-24-13-6-14-25-42)33-35-27-29-38(30-28-35)44-32-31-37-17-15-16-26-43(37)47(44)50-52-45(39-18-7-3-8-19-39)34-46(53-50)40-20-9-4-10-21-40/h3-32,34,36,51H,2,33H2,1H3/b51-49+,54-48-
InChIKeyCRMSIWIGTRHLAB-LMRHUKOHSA-N
MW696.90 g/mol
LogP12.38
Rot. Bonds10

About N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide

N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide (PubChem CID 146647292) has the molecular formula C50H40N4 and a molecular weight of 696.90 g/mol. Its IUPAC name is N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide
PubChem CID146647292
Molecular FormulaC50H40N4
Molecular Weight696.90 g/mol
Exact Mass696.33
IUPAC NameN-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\c1ccccc1)C(CC)Cc1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C50H40N4/c1-2-36(48(41-22-11-5-12-23-41)54-49(51)42-24-13-6-14-25-42)33-35-27-29-38(30-28-35)44-32-31-37-17-15-16-26-43(37)47(44)50-52-45(39-18-7-3-8-19-39)34-46(53-50)40-20-9-4-10-21-40/h3-32,34,36,51H,2,33H2,1H3/b51-49+,54-48-
InChIKeyCRMSIWIGTRHLAB-LMRHUKOHSA-N
XLogP12.38
TPSA61.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 512.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
N'-(benzenecarboximidoyl)-N-benzyl-4-(2-triphenylen-2-ylnaphthalen-1-yl)benzenecarboximidamide
CID 174289167
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 176632194
2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
N'-(benzenecarboximidoyl)-2-[4-naphthalen-1-yl-6-[(E)-pent-2-en-3-yl]pyrimidin-2-yl]naphthalene-1-carboximidamide
CID 166656838
2-[4-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168777892
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
1-[4-[4-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole
CID 167304359

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide?
The IUPAC name of N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide (CID 146647292) is N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide.
What is the SMILES notation for N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide?
The canonical SMILES for N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide is [H]/N=C(/N=C(\c1ccccc1)C(CC)Cc1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide?
The InChIKey is CRMSIWIGTRHLAB-LMRHUKOHSA-N. The full InChI is InChI=1S/C50H40N4/c1-2-36(48(41-22-11-5-12-23-41)54-49(51)42-24-13-6-14-25-42)33-35-27-29-38(30-28-35)44-32-31-37-17-15-16-26-43(37)47(44)50-52-45(39-18-7-3-8-19-39)34-46(53-50)40-20-9-4-10-21-40/h3-32,34,36,51H,2,33H2,1H3/b51-49+,54-48-.
What are the key properties of N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide?
N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide has a molecular weight of 696.90 g/mol, XLogP of 12.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]phenyl]methyl]-1-phenylbutylidene]benzenecarboximidamide is sourced from PubChem (CID 146647292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).