1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine

C39H35N3 — CID 23542290

IUPAC1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
SMILESc1ccc(/C(=N\C2CCCc3ccccc32)c2cccc(/C(=N/C3CCCc4ccccc43)c3ccccc3)n2)cc1
InChIInChI=1S/C39H35N3/c1-3-16-30(17-4-1)38(41-34-24-11-20-28-14-7-9-22-32(28)34)36-26-13-27-37(40-36)39(31-18-5-2-6-19-31)42-35-25-12-21-29-15-8-10-23-33(29)35/h1-10,13-19,22-23,26-27,34-35H,11-12,20-21,24-25H2/b41-38+,42-39+
InChIKeyHOUQPLNLVLTVCV-GZCHCYBESA-N
MW545.73 g/mol
LogP8.91
Rot. Bonds6

About 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine

1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine (PubChem CID 23542290) has the molecular formula C39H35N3 and a molecular weight of 545.73 g/mol. Its IUPAC name is 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
PubChem CID23542290
Molecular FormulaC39H35N3
Molecular Weight545.73 g/mol
Exact Mass545.28
IUPAC Name1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine
SMILESc1ccc(/C(=N\C2CCCc3ccccc32)c2cccc(/C(=N/C3CCCc4ccccc43)c3ccccc3)n2)cc1
InChIInChI=1S/C39H35N3/c1-3-16-30(17-4-1)38(41-34-24-11-20-28-14-7-9-22-32(28)34)36-26-13-27-37(40-36)39(31-18-5-2-6-19-31)42-35-25-12-21-29-15-8-10-23-33(29)35/h1-10,13-19,22-23,26-27,34-35H,11-12,20-21,24-25H2/b41-38+,42-39+
InChIKeyHOUQPLNLVLTVCV-GZCHCYBESA-N
XLogP8.91
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.73
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine with MolForge

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Related Compounds

1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 18751587
1-amino-3-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 116513428
N-[3-ethenyl-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]-1-[6-(N-pentan-2-yl-C-phenylcarbonimidoyl)-2-pyridinyl]-1-phenylmethanimine
CID 143043846
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 119181193
1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate
CID 163644776
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
2-(benzhydrylideneamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 57264038
1-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
CID 102110505
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
CID 167645226
CID 167645226

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The IUPAC name of 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine (CID 23542290) is 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine.
What is the SMILES notation for 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The canonical SMILES for 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine is c1ccc(/C(=N\C2CCCc3ccccc32)c2cccc(/C(=N/C3CCCc4ccccc43)c3ccccc3)n2)cc1.
What is the InChIKey of 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
The InChIKey is HOUQPLNLVLTVCV-GZCHCYBESA-N. The full InChI is InChI=1S/C39H35N3/c1-3-16-30(17-4-1)38(41-34-24-11-20-28-14-7-9-22-32(28)34)36-26-13-27-37(40-36)39(31-18-5-2-6-19-31)42-35-25-12-21-29-15-8-10-23-33(29)35/h1-10,13-19,22-23,26-27,34-35H,11-12,20-21,24-25H2/b41-38+,42-39+.
What are the key properties of 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine?
1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine has a molecular weight of 545.73 g/mol, XLogP of 8.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[6-[C-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbonimidoyl]-2-pyridinyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimine is sourced from PubChem (CID 23542290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).