N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide

C38H27N3 — CID 142425048

IUPACN'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\Cc1ccc(-c2cc3ccccc3cc2-c2ccc(-c3cccc(C#N)c3)cc2)cc1)c1ccccc1
InChIInChI=1S/C38H27N3/c1-40-38(32-9-3-2-4-10-32)41-26-27-14-16-30(17-15-27)36-23-34-11-5-6-12-35(34)24-37(36)31-20-18-29(19-21-31)33-13-7-8-28(22-33)25-39/h2-24H,1,26H2/b41-38-
InChIKeyYFTZRMVRINBRNL-GJARRJKISA-N
MW525.66 g/mol
LogP9.36
Rot. Bonds6

About N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide

N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide (PubChem CID 142425048) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
PubChem CID142425048
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC NameN'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\Cc1ccc(-c2cc3ccccc3cc2-c2ccc(-c3cccc(C#N)c3)cc2)cc1)c1ccccc1
InChIInChI=1S/C38H27N3/c1-40-38(32-9-3-2-4-10-32)41-26-27-14-16-30(17-15-27)36-23-34-11-5-6-12-35(34)24-37(36)31-20-18-29(19-21-31)33-13-7-8-28(22-33)25-39/h2-24H,1,26H2/b41-38-
InChIKeyYFTZRMVRINBRNL-GJARRJKISA-N
XLogP9.36
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.36
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide (CID 142425048) is N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\Cc1ccc(-c2cc3ccccc3cc2-c2ccc(-c3cccc(C#N)c3)cc2)cc1)c1ccccc1.
What is the InChIKey of N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is YFTZRMVRINBRNL-GJARRJKISA-N. The full InChI is InChI=1S/C38H27N3/c1-40-38(32-9-3-2-4-10-32)41-26-27-14-16-30(17-15-27)36-23-34-11-5-6-12-35(34)24-37(36)31-20-18-29(19-21-31)33-13-7-8-28(22-33)25-39/h2-24H,1,26H2/b41-38-.
What are the key properties of N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide?
N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 525.66 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[3-[4-(3-cyanophenyl)phenyl]naphthalen-2-yl]phenyl]methyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 142425048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).