2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one

C22H28N2O3 — CID 57439818

IUPAC2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
SMILESCN(C)CCOc1ccc2c(c1)CC(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C22H28N2O3/c1-23(2)9-11-26-17-5-7-19-16(13-17)14-22(25)21-15-18(6-8-20(19)21)27-12-10-24(3)4/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyWGVAZGPCCYSRSK-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.97
Rot. Bonds8

About 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one

2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one (PubChem CID 57439818) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one.

Molecular Properties

Compound Name2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
PubChem CID57439818
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one
SMILESCN(C)CCOc1ccc2c(c1)CC(=O)c1cc(OCCN(C)C)ccc1-2
InChIInChI=1S/C22H28N2O3/c1-23(2)9-11-26-17-5-7-19-16(13-17)14-22(25)21-15-18(6-8-20(19)21)27-12-10-24(3)4/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyWGVAZGPCCYSRSK-UHFFFAOYSA-N
XLogP2.97
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[7-[2-(dimethylamino)ethoxy]-9H-fluoren-2-yl]oxy]-N,N-dimethylethanamine
CID 11393658
2-[2-(dimethylamino)ethoxy]-7-fluorofluoren-9-one
CID 82579503
6-[2-(dimethylamino)ethoxy]-2-methyl-3H-isoindol-1-one
CID 70886803
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
2-[2-(dimethylamino)ethoxy]-6H-benzo[c][1]benzothiepin-11-one
CID 1201730
3-[[6-[3-(diethylamino)propoxy]-9H-fluoren-2-yl]oxy]-N,N-diethylpropan-1-amine
CID 57439221
(NZ)-N-[6-[2-(dimethylamino)ethoxy]-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 129395976
2-(4-ethyl-3-methylphenoxy)-N,N-dimethylethanamine
CID 163472505
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
CID 11545195
7-methoxy-10H-phenanthren-9-one
CID 135042116
(9-oxo-10H-phenanthren-2-yl) sulfamate
CID 20817602

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one?
The IUPAC name of 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one (CID 57439818) is 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one.
What is the SMILES notation for 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one?
The canonical SMILES for 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one is CN(C)CCOc1ccc2c(c1)CC(=O)c1cc(OCCN(C)C)ccc1-2.
What is the InChIKey of 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one?
The InChIKey is WGVAZGPCCYSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(2)9-11-26-17-5-7-19-16(13-17)14-22(25)21-15-18(6-8-20(19)21)27-12-10-24(3)4/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one?
2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one has a molecular weight of 368.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(dimethylamino)ethoxy]-10H-phenanthren-9-one is sourced from PubChem (CID 57439818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).