N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine

C32H35NOS — CID 101191380

IUPACN-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c(/C=N\c3ccccc3)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C32H35NOS/c1-21(2)26-18-29(22(3)4)32(30(19-26)23(5)6)35(34)31-25(20-33-27-13-8-7-9-14-27)17-16-24-12-10-11-15-28(24)31/h7-23H,1-6H3/b33-20-
InChIKeyDCEWHEXHZUINTJ-UCMJSZAQSA-N
MW481.71 g/mol
LogP9.13
Rot. Bonds7

About N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine

N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine (PubChem CID 101191380) has the molecular formula C32H35NOS and a molecular weight of 481.71 g/mol. Its IUPAC name is N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine
PubChem CID101191380
Molecular FormulaC32H35NOS
Molecular Weight481.71 g/mol
Exact Mass481.24
IUPAC NameN-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c(/C=N\c3ccccc3)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C32H35NOS/c1-21(2)26-18-29(22(3)4)32(30(19-26)23(5)6)35(34)31-25(20-33-27-13-8-7-9-14-27)17-16-24-12-10-11-15-28(24)31/h7-23H,1-6H3/b33-20-
InChIKeyDCEWHEXHZUINTJ-UCMJSZAQSA-N
XLogP9.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.71
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine?
The IUPAC name of N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine (CID 101191380) is N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine.
What is the SMILES notation for N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine?
The canonical SMILES for N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine is CC(C)c1cc(C(C)C)c(S(=O)c2c(/C=N\c3ccccc3)ccc3ccccc23)c(C(C)C)c1.
What is the InChIKey of N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine?
The InChIKey is DCEWHEXHZUINTJ-UCMJSZAQSA-N. The full InChI is InChI=1S/C32H35NOS/c1-21(2)26-18-29(22(3)4)32(30(19-26)23(5)6)35(34)31-25(20-33-27-13-8-7-9-14-27)17-16-24-12-10-11-15-28(24)31/h7-23H,1-6H3/b33-20-.
What are the key properties of N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine?
N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine has a molecular weight of 481.71 g/mol, XLogP of 9.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine is sourced from PubChem (CID 101191380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).