2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde

C27H29N3O3 — CID 91802921

IUPAC2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde
SMILESCN(C)c1ccc(C(=O)c2ccc(C=O)c(N(C)C)c2C(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C27H29N3O3/c1-28(2)21-13-10-18(11-14-21)26(32)23-15-12-20(17-31)25(30(5)6)24(23)27(33)19-8-7-9-22(16-19)29(3)4/h7-17H,1-6H3
InChIKeyRVEOLMVEXXHBQX-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.16
Rot. Bonds8

About 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde

2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde (PubChem CID 91802921) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde
PubChem CID91802921
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde
SMILESCN(C)c1ccc(C(=O)c2ccc(C=O)c(N(C)C)c2C(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C27H29N3O3/c1-28(2)21-13-10-18(11-14-21)26(32)23-15-12-20(17-31)25(30(5)6)24(23)27(33)19-8-7-9-22(16-19)29(3)4/h7-17H,1-6H3
InChIKeyRVEOLMVEXXHBQX-UHFFFAOYSA-N
XLogP4.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis[3-(dimethylamino)phenyl]methanone
CID 14534104
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
2-benzoyl-5-(dimethylamino)benzoic acid
CID 19812381
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
[3-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127292
[3-(dimethylamino)phenyl]-(3,5-dimethylphenyl)methanone
CID 105080904
(3-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanone
CID 106647340
[3-(dimethylamino)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434965
1-[3-(dimethylamino)phenyl]prop-2-en-1-one
CID 19375664
2,3-dibenzoylbenzaldehyde
CID 54496315
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
(5-chloro-2-methoxyphenyl)-[3-(dimethylamino)phenyl]methanone
CID 105094111

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde?
The IUPAC name of 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde (CID 91802921) is 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde.
What is the SMILES notation for 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde?
The canonical SMILES for 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde is CN(C)c1ccc(C(=O)c2ccc(C=O)c(N(C)C)c2C(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde?
The InChIKey is RVEOLMVEXXHBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-28(2)21-13-10-18(11-14-21)26(32)23-15-12-20(17-31)25(30(5)6)24(23)27(33)19-8-7-9-22(16-19)29(3)4/h7-17H,1-6H3.
What are the key properties of 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde?
2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde has a molecular weight of 443.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-[3-(dimethylamino)benzoyl]-4-[4-(dimethylamino)benzoyl]benzaldehyde is sourced from PubChem (CID 91802921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).