1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine

C37H39N — CID 20561189

IUPAC1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine
SMILESCCN(C)CC.c1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26.C5H13N/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-6(3)5-2/h1-24,31-32H;4-5H2,1-3H3
InChIKeyZROILZGIXBBUCT-UHFFFAOYSA-N
MW497.73 g/mol
LogP9.01
Rot. Bonds8

About 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine

1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine (PubChem CID 20561189) has the molecular formula C37H39N and a molecular weight of 497.73 g/mol. Its IUPAC name is 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine
PubChem CID20561189
Molecular FormulaC37H39N
Molecular Weight497.73 g/mol
Exact Mass497.31
IUPAC Name1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine
SMILESCCN(C)CC.c1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H26.C5H13N/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-6(3)5-2/h1-24,31-32H;4-5H2,1-3H3
InChIKeyZROILZGIXBBUCT-UHFFFAOYSA-N
XLogP9.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.73
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N,N-dimethyl-1-phenylmethanamine;N-ethyl-N-methylethanamine
CID 154948707
N'-ethyl-N'-methyl-1-phenylbutane-1,4-diamine
CID 63322236
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine?
The IUPAC name of 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine (CID 20561189) is 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine.
What is the SMILES notation for 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine?
The canonical SMILES for 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine is CCN(C)CC.c1ccc(C(c2ccccc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine?
The InChIKey is ZROILZGIXBBUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26.C5H13N/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-4-6(3)5-2/h1-24,31-32H;4-5H2,1-3H3.
What are the key properties of 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine?
1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine has a molecular weight of 497.73 g/mol, XLogP of 9.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzhydrylbenzene;N-ethyl-N-methylethanamine is sourced from PubChem (CID 20561189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).