N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold

C33H41AuClN2- — CID 140577348

IUPACN,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold
SMILESCl[Au].c1ccc(N([CH-]N(c2ccccc2)C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C33H41N2.Au.ClH/c1-3-7-30(8-4-1)34(32-17-24-11-25(18-32)13-26(12-24)19-32)23-35(31-9-5-2-6-10-31)33-20-27-14-28(21-33)16-29(15-27)22-33;;/h1-10,23-29H,11-22H2;;1H/q-1;+1;/p-1
InChIKeyXPTOONKVDMPVDP-UHFFFAOYSA-M
MW698.13 g/mol
LogP8.74
Rot. Bonds6

About N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold

N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold (PubChem CID 140577348) has the molecular formula C33H41AuClN2- and a molecular weight of 698.13 g/mol. Its IUPAC name is N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold.

Molecular Properties

Compound NameN,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold
PubChem CID140577348
Molecular FormulaC33H41AuClN2-
Molecular Weight698.13 g/mol
Exact Mass697.26
IUPAC NameN,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold
SMILESCl[Au].c1ccc(N([CH-]N(c2ccccc2)C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C33H41N2.Au.ClH/c1-3-7-30(8-4-1)34(32-17-24-11-25(18-32)13-26(12-24)19-32)23-35(31-9-5-2-6-10-31)33-20-27-14-28(21-33)16-29(15-27)22-33;;/h1-10,23-29H,11-22H2;;1H/q-1;+1;/p-1
InChIKeyXPTOONKVDMPVDP-UHFFFAOYSA-M
XLogP8.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.13
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold?
The IUPAC name of N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold (CID 140577348) is N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold.
What is the SMILES notation for N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold?
The canonical SMILES for N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold is Cl[Au].c1ccc(N([CH-]N(c2ccccc2)C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold?
The InChIKey is XPTOONKVDMPVDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H41N2.Au.ClH/c1-3-7-30(8-4-1)34(32-17-24-11-25(18-32)13-26(12-24)19-32)23-35(31-9-5-2-6-10-31)33-20-27-14-28(21-33)16-29(15-27)22-33;;/h1-10,23-29H,11-22H2;;1H/q-1;+1;/p-1.
What are the key properties of N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold?
N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold has a molecular weight of 698.13 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-adamantyl)-N,N'-diphenylmethanediamine;chlorogold is sourced from PubChem (CID 140577348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).