N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine

C38H27N5 — CID 152976135

IUPACN-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine
SMILES[H]/N=C(\c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1c(Nc2ccncc2)ccc2ccccc12
InChIInChI=1S/C38H27N5/c39-37(36-32-17-8-7-10-26(32)18-19-33(36)41-31-20-22-40-23-21-31)30-16-9-15-29(24-30)35-25-34(27-11-3-1-4-12-27)42-38(43-35)28-13-5-2-6-14-28/h1-25,39H,(H,40,41)/b39-37+
InChIKeyUTLJMCVMXAVEJU-NHFVQZBWSA-N
MW553.67 g/mol
LogP9.19
Rot. Bonds7

About N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine

N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine (PubChem CID 152976135) has the molecular formula C38H27N5 and a molecular weight of 553.67 g/mol. Its IUPAC name is N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine
PubChem CID152976135
Molecular FormulaC38H27N5
Molecular Weight553.67 g/mol
Exact Mass553.23
IUPAC NameN-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine
SMILES[H]/N=C(\c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1c(Nc2ccncc2)ccc2ccccc12
InChIInChI=1S/C38H27N5/c39-37(36-32-17-8-7-10-26(32)18-19-33(36)41-31-20-22-40-23-21-31)30-16-9-15-29(24-30)35-25-34(27-11-3-1-4-12-27)42-38(43-35)28-13-5-2-6-14-28/h1-25,39H,(H,40,41)/b39-37+
InChIKeyUTLJMCVMXAVEJU-NHFVQZBWSA-N
XLogP9.19
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.67
LogP ≤ 59.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine 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

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-carboximidoyl]-N-phenylnaphthalen-2-amine
CID 154596585
1-[3-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]benzenecarboximidoyl]-N-phenylnaphthalen-2-amine
CID 176869704
N-[2-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzo-p-dioxin-2-yl]benzenecarboximidoyl]phenyl]pyridin-4-amine
CID 154596680
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
4-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 130267857
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyridine-2-carboximidoyl]-N-phenylaniline
CID 176869716
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]benzenecarboximidoyl]-N-phenylaniline
CID 154596856
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
4-phenanthren-2-yl-2-[5-(4-phenanthren-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]-6-phenylpyrimidine;4-[4-(4-phenylphenyl)phenyl]-2-[5-[4-[4-(4-phenylphenyl)phenyl]-6-pyridin-4-ylpyrimidin-2-yl]naphthalen-1-yl]-6-pyridin-4-ylpyrimidine
CID 158962834

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine?
The IUPAC name of N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine (CID 152976135) is N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine.
What is the SMILES notation for N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine?
The canonical SMILES for N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine is [H]/N=C(\c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1c(Nc2ccncc2)ccc2ccccc12.
What is the InChIKey of N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine?
The InChIKey is UTLJMCVMXAVEJU-NHFVQZBWSA-N. The full InChI is InChI=1S/C38H27N5/c39-37(36-32-17-8-7-10-26(32)18-19-33(36)41-31-20-22-40-23-21-31)30-16-9-15-29(24-30)35-25-34(27-11-3-1-4-12-27)42-38(43-35)28-13-5-2-6-14-28/h1-25,39H,(H,40,41)/b39-37+.
What are the key properties of N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine?
N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine has a molecular weight of 553.67 g/mol, XLogP of 9.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,6-diphenylpyrimidin-4-yl)benzenecarboximidoyl]naphthalen-2-yl]pyridin-4-amine is sourced from PubChem (CID 152976135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).