[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine

C29H28N2O2 — CID 58900494

IUPAC[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESNC(c1ccccc1)(c1ccccc1)C1OCOC1C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33-21-32-26)29(31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21,30-31H2
InChIKeyLHAAQRVUIGREIS-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.53
Rot. Bonds6

About [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine

[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine (PubChem CID 58900494) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine.

Molecular Properties

Compound Name[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine
PubChem CID58900494
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine
SMILESNC(c1ccccc1)(c1ccccc1)C1OCOC1C(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28N2O2/c30-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33-21-32-26)29(31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21,30-31H2
InChIKeyLHAAQRVUIGREIS-UHFFFAOYSA-N
XLogP4.53
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine?
The IUPAC name of [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine (CID 58900494) is [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine.
What is the SMILES notation for [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine?
The canonical SMILES for [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine is NC(c1ccccc1)(c1ccccc1)C1OCOC1C(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine?
The InChIKey is LHAAQRVUIGREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c30-28(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33-21-32-26)29(31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21,30-31H2.
What are the key properties of [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine?
[5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine has a molecular weight of 436.56 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[amino(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanamine is sourced from PubChem (CID 58900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).