CID 138974220

C27H36Bi3N3 — CID 138974220

IUPAC—
SMILESCN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi]
InChIInChI=1S/3C9H12N.3Bi/c3*1-10(2)8-9-6-4-3-5-7-9;;;/h3*3-6H,8H2,1-2H3;;;
InChIKeyNEUPDUGBNNIVTE-UHFFFAOYSA-N
MW1029.55 g/mol
LogP1.63
Rot. Bonds6

About CID 138974220

CID 138974220 (PubChem CID 138974220) has the molecular formula C27H36Bi3N3 and a molecular weight of 1029.55 g/mol.

Molecular Properties

Compound NameCID 138974220
PubChem CID138974220
Molecular FormulaC27H36Bi3N3
Molecular Weight1029.55 g/mol
Exact Mass1029.23
IUPAC Name—
SMILESCN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi]
InChIInChI=1S/3C9H12N.3Bi/c3*1-10(2)8-9-6-4-3-5-7-9;;;/h3*3-6H,8H2,1-2H3;;;
InChIKeyNEUPDUGBNNIVTE-UHFFFAOYSA-N
XLogP1.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001029.55
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
N,N-dimethyl-1-(2-propylphenyl)methanamine
CID 12709346
1-[2-(chloromethyl)phenyl]-N,N-dimethylmethanamine
CID 14459148
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
Tris(2-((dimethylamino)methyl)phenyl)germane
CID 15772942
hexamagnesium;hexakis([2-[(dimethylamino)methyl]phenyl]azanide)
CID 139241421
N,N-dimethyl-1-(2-octadecylphenyl)methanamine
CID 19374198
CID 138973114
CID 138973114
1-(2-dimethylstannylphenyl)-N,N-dimethylmethanamine
CID 14950094
1-[2-[[2-[(dimethylamino)methyl]phenyl]-methylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 11050518
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
N,N-dimethyl-1-(2-tetradecylphenyl)methanamine;hydrochloride
CID 175358884

Frequently Asked Questions

What is the IUPAC name of CID 138974220?
The IUPAC name of CID 138974220 (CID 138974220) is not available.
What is the SMILES notation for CID 138974220?
The canonical SMILES for CID 138974220 is CN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi].CN(C)Cc1ccccc1[Bi].
What is the InChIKey of CID 138974220?
The InChIKey is NEUPDUGBNNIVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H12N.3Bi/c3*1-10(2)8-9-6-4-3-5-7-9;;;/h3*3-6H,8H2,1-2H3;;;.
What are the key properties of CID 138974220?
CID 138974220 has a molecular weight of 1029.55 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 138974220 is sourced from PubChem (CID 138974220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).