N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide

C38H29N3 — CID 155443204

IUPACN'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(C#N)c3)c3ccccc23)cc1
InChIInChI=1S/C38H29N3/c1-38(31-15-6-3-7-16-31,41-37(40)29-12-4-2-5-13-29)32-21-19-28(20-22-32)33-23-24-34(36-18-9-8-17-35(33)36)30-14-10-11-27(25-30)26-39/h2-25H,1H3,(H2,40,41)
InChIKeyUPQILURSMWKHHF-UHFFFAOYSA-N
MW527.67 g/mol
LogP8.71
Rot. Bonds6

About N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide

N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide (PubChem CID 155443204) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide
PubChem CID155443204
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC NameN'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide
SMILESCC(/N=C(\N)c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(C#N)c3)c3ccccc23)cc1
InChIInChI=1S/C38H29N3/c1-38(31-15-6-3-7-16-31,41-37(40)29-12-4-2-5-13-29)32-21-19-28(20-22-32)33-23-24-34(36-18-9-8-17-35(33)36)30-14-10-11-27(25-30)26-39/h2-25H,1H3,(H2,40,41)
InChIKeyUPQILURSMWKHHF-UHFFFAOYSA-N
XLogP8.71
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 58.71
H-Bond Donors ≤ 51
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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Related Compounds

3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 134317943
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879
3-[4-[4-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 147225873
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
3-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 165013050
4-(3-tert-butylphenyl)naphthalene-1-carbonitrile
CID 164818799
3-[3-(4-tert-butylphenyl)phenyl]benzonitrile
CID 165376163
3-[16-(3-cyanophenyl)-23-phenyl-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaenyl]benzonitrile
CID 118267907
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
3-[4-[3-[4-(3-tert-butylphenyl)-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 177112898
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide?
The IUPAC name of N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide (CID 155443204) is N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide.
What is the SMILES notation for N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide?
The canonical SMILES for N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide is CC(/N=C(\N)c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3cccc(C#N)c3)c3ccccc23)cc1.
What is the InChIKey of N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide?
The InChIKey is UPQILURSMWKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-38(31-15-6-3-7-16-31,41-37(40)29-12-4-2-5-13-29)32-21-19-28(20-22-32)33-23-24-34(36-18-9-8-17-35(33)36)30-14-10-11-27(25-30)26-39/h2-25H,1H3,(H2,40,41).
What are the key properties of N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide?
N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide has a molecular weight of 527.67 g/mol, XLogP of 8.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-[4-(3-cyanophenyl)naphthalen-1-yl]phenyl]-1-phenylethyl]benzenecarboximidamide is sourced from PubChem (CID 155443204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).