bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone

C35H40N2O — CID 139567563

IUPACbis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone
SMILESCCN(c1ccc(C(=O)c2ccc(N(CC)c3c(C)cc(C)cc3C)cc2)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C35H40N2O/c1-9-36(33-25(5)19-23(3)20-26(33)6)31-15-11-29(12-16-31)35(38)30-13-17-32(18-14-30)37(10-2)34-27(7)21-24(4)22-28(34)8/h11-22H,9-10H2,1-8H3
InChIKeyFHZVMIRDTCAQKJ-UHFFFAOYSA-N
MW504.72 g/mol
LogP9.08
Rot. Bonds8

About bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone

bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone (PubChem CID 139567563) has the molecular formula C35H40N2O and a molecular weight of 504.72 g/mol. Its IUPAC name is bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone
PubChem CID139567563
Molecular FormulaC35H40N2O
Molecular Weight504.72 g/mol
Exact Mass504.31
IUPAC Namebis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone
SMILESCCN(c1ccc(C(=O)c2ccc(N(CC)c3c(C)cc(C)cc3C)cc2)cc1)c1c(C)cc(C)cc1C
InChIInChI=1S/C35H40N2O/c1-9-36(33-25(5)19-23(3)20-26(33)6)31-15-11-29(12-16-31)35(38)30-13-17-32(18-14-30)37(10-2)34-27(7)21-24(4)22-28(34)8/h11-22H,9-10H2,1-8H3
InChIKeyFHZVMIRDTCAQKJ-UHFFFAOYSA-N
XLogP9.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
bis[4-(dimethylamino)phenyl]methanone;bis[4-[ethyl(methyl)amino]phenyl]methanone
CID 159995939
[4-[ethyl-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]-(4-methylphenyl)methanone
CID 145344163
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
2-(N-ethyl-4-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63513632
[4-[(ethenylamino)-prop-2-enylamino]phenyl]-[4-[ethyl(prop-2-enyl)amino]phenyl]methanone
CID 135188887
methyl 2-amino-5-(N-ethyl-4-methylanilino)benzoate
CID 63423395
bis[4-[decyl(ethyl)amino]phenyl]methanone
CID 150764383
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754

Frequently Asked Questions

What is the IUPAC name of bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone?
The IUPAC name of bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone (CID 139567563) is bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone.
What is the SMILES notation for bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone?
The canonical SMILES for bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone is CCN(c1ccc(C(=O)c2ccc(N(CC)c3c(C)cc(C)cc3C)cc2)cc1)c1c(C)cc(C)cc1C.
What is the InChIKey of bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone?
The InChIKey is FHZVMIRDTCAQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2O/c1-9-36(33-25(5)19-23(3)20-26(33)6)31-15-11-29(12-16-31)35(38)30-13-17-32(18-14-30)37(10-2)34-27(7)21-24(4)22-28(34)8/h11-22H,9-10H2,1-8H3.
What are the key properties of bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone?
bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone has a molecular weight of 504.72 g/mol, XLogP of 9.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(N-ethyl-2,4,6-trimethylanilino)phenyl]methanone is sourced from PubChem (CID 139567563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).