[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine

C38H36N2O2 — CID 134837929

IUPAC[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(/N=C/c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C38H36N2O2/c1-36(2)41-34(37(39,30-20-10-4-11-21-30)31-22-12-5-13-23-31)35(42-36)38(32-24-14-6-15-25-32,33-26-16-7-17-27-33)40-28-29-18-8-3-9-19-29/h3-28,34-35H,39H2,1-2H3/b40-28+/t34-,35-/m1/s1
InChIKeySXMRZBXVHQQSFF-UFPSBGLUSA-N
MW552.72 g/mol
LogP7.47
Rot. Bonds8

About [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine

[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (PubChem CID 134837929) has the molecular formula C38H36N2O2 and a molecular weight of 552.72 g/mol. Its IUPAC name is [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.

Molecular Properties

Compound Name[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
PubChem CID134837929
Molecular FormulaC38H36N2O2
Molecular Weight552.72 g/mol
Exact Mass552.28
IUPAC Name[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESCC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(/N=C/c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C38H36N2O2/c1-36(2)41-34(37(39,30-20-10-4-11-21-30)31-22-12-5-13-23-31)35(42-36)38(32-24-14-6-15-25-32,33-26-16-7-17-27-33)40-28-29-18-8-3-9-19-29/h3-28,34-35H,39H2,1-2H3/b40-28+/t34-,35-/m1/s1
InChIKeySXMRZBXVHQQSFF-UFPSBGLUSA-N
XLogP7.47
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The IUPAC name of [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine (CID 134837929) is [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine.
What is the SMILES notation for [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The canonical SMILES for [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is CC1(C)O[C@@H](C(N)(c2ccccc2)c2ccccc2)[C@H](C(/N=C/c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
The InChIKey is SXMRZBXVHQQSFF-UFPSBGLUSA-N. The full InChI is InChI=1S/C38H36N2O2/c1-36(2)41-34(37(39,30-20-10-4-11-21-30)31-22-12-5-13-23-31)35(42-36)38(32-24-14-6-15-25-32,33-26-16-7-17-27-33)40-28-29-18-8-3-9-19-29/h3-28,34-35H,39H2,1-2H3/b40-28+/t34-,35-/m1/s1.
What are the key properties of [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine?
[(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine has a molecular weight of 552.72 g/mol, XLogP of 7.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(benzylideneamino)-diphenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanamine is sourced from PubChem (CID 134837929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).